The title compound, 4-(tert-butyl)-5-(1 H- 1,2,4-triazol- 1 -yl)-N-(2-hydroxy-3,5-diio- dinebenzyl)thiazol-2-amine, was synthesized via the reduction of 4-(tert-butyl)-5-(1H-l,2,4- triazol-l-yl)-N-benzyliden...The title compound, 4-(tert-butyl)-5-(1 H- 1,2,4-triazol- 1 -yl)-N-(2-hydroxy-3,5-diio- dinebenzyl)thiazol-2-amine, was synthesized via the reduction of 4-(tert-butyl)-5-(1H-l,2,4- triazol-l-yl)-N-benzylidene-thiazol-2-amine with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 7.91944(19), b = 10.5250(3), c = 24.4985(6) A, Z = 4, V = 2041.66(9) A3, Mr = 599.22, Dc = 1,949 Mg/m3, S = 1.120, p = 3.203 mm-1, F(000) = 1152, the final R = 0.0283 and wR = 0.0592 for 3490 observed reflections (I 〉 2σ(I)). X-ray analysis displays that the crystal water takes part in three intermolecular hydrogen bonds of O(2)-H(2A)…O(1), O(2)-H(2B)…N(I) and N(5)-H(5)…O(2), and an octatomic ring R^(8) is formed via intramolecular hydrogen bond of O(I)-H(IA)…N(4). Furthermore, the I…I contacts are involved in stabilizing the overall three-dimensional network structure. The preliminary biological test shows the title compound has good antitumor activity with the IC50 value of 26 μM against the Hela cell line.展开更多
The title compound 6-chloro-l-((6-chloropyridin-3-yl)methyl)-3-phenyl-lH-benzofuro[3,2-c]pyrazole(5,C21H13Cl2N3O,Mr = 394.26) was synthesized and characterized by elemental analysis,^1H NMR,^13C NMR and X-ray si...The title compound 6-chloro-l-((6-chloropyridin-3-yl)methyl)-3-phenyl-lH-benzofuro[3,2-c]pyrazole(5,C21H13Cl2N3O,Mr = 394.26) was synthesized and characterized by elemental analysis,^1H NMR,^13C NMR and X-ray single-crystal diffraction.The structure reveals that the crystal belongs to the triclinic system,space group P1 with a = 7.8829(8),b = 10.3281(10),c = 11.7615(12)A°,α = 83.5552(2),β = 79.921(2),γ = 70.189(2)°,V= 885.54(15) A°3,Z = 2,Dc =1.479 g/cm^3,μ = 0.383 mm^-1,F(000) = 404,R = 0.0538 and wR = 0.1335 for 2453 observed reflections with I 〉 2σ(I).The result reveals that the crystal structure of the title compound 5 is stabilized by three C-Cl…π interactions and π…π stacking interaction.In addition,the preliminary investigation showed that 5 exhibits remarkably good antitumor activity against the MCF-7 and A549 cell lines.展开更多
The title compound, (E)-1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)- 3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol (3a), was synthesized by the Aldol con- densation reaction of 1-(7-methox...The title compound, (E)-1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)- 3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol (3a), was synthesized by the Aldol con- densation reaction of 1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)-2-(1,2,4-triazol- 1-yl)ethanone with 2-methoxybenzaldehyde and then reduced with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction: monoclinic system, space group P21 with a = 6.2002(3), b = 12.8452(7), c = 13.2257(7) ?, Z = 2, V = 1031.23(9) ?3, Mr = 407.46, Dc = 1.312 Mg/m3, S = 1.054, μ = 0.091 mm-1, F(000) = 432, the final R = 0.0353 and wR = 0.0769 for 3161 observed reflections (I 〉 2σ(I)). X-ray analysis displays that the title compound adopts an E configuration for the C(7)=C(8) double bond and S configuration for the chirality center with the specific rotation of –63.75°. Furthermore, the stability of the crystal was maintained through the intermolecular hydrogen bond O(1)–H???N(3). The antitumor assay exhibits that the title compound 3a (E configuration) has a good antitumor activity against the Hela cell line with the IC50 value of 36.9 μM, which is better than that of 3b (Z configuration).展开更多
The title compound(C(37)H(48)BrNO5, 6) was synthesized from ursolic acid and its crystal structure was determined by single-crystal X-ray diffraction analysis. The compound is of orthorhombic system, space group...The title compound(C(37)H(48)BrNO5, 6) was synthesized from ursolic acid and its crystal structure was determined by single-crystal X-ray diffraction analysis. The compound is of orthorhombic system, space group P212121 with a = 16.846(3), b = 18.844(4), c = 11.262(2)A, Z =4, V = 3575.1(13) A^3, Mr = 666.67, Dc = 1.239 Mg/m^3, S = 1.002, μ = 1.190 mm^-1, F(000) = 1408,the final R = 0.0831 and wR = 0.1459 for 2286 observed reflections(I 〉 2σ(I)). The crystal structure is stabilized by two intermolecular hydrogen bonds(N–H(0A)···O(2) and O(1)–H(1A)···O(3)). In the preliminary antitumor assay, the title compound 6 exhibits potent cytotoxic activity against Hep G2 and SMMC-7721 cells with IC50 values of 1.64 ± 0.21 and 1.22 ± 0.13 μM, respectively.展开更多
A new Zn(Ⅱ) complex, [Zn(L)2(phen)(H2O)](1, HL = N-acetyl-L-phenylalanine, phen = 1,10-phenanthroline) has been synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction a...A new Zn(Ⅱ) complex, [Zn(L)2(phen)(H2O)](1, HL = N-acetyl-L-phenylalanine, phen = 1,10-phenanthroline) has been synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction analysis. The Zn(Ⅱ) complex belongs to monoclinic, space group P21 with a = 12.6749(13), b = 5.5965(6), c = 22.985(2) A, β = 104.296(2)°, V = 1580.0(3) A^3, Z = 2, Mr = 676.02, Dc = 1.421 μg·m^(-3), μ = 0.833 mm^-1, F(000) = 704, and the final R = 0.0460, wR = 0.0899 for 4422 observed reflections with I 〉 2σ(I). The molecules form a 1D chained structure by hydrogen bonds. The antitumor activities of Zn(Ⅱ) complex against human hepatoma SMMC-7721 cells, human lung adenocarcinoma A549 cells and human colon carcinoma WiDr cells have also been investigated.展开更多
In order to enhance water-solubility and biological utilization rate of tectochrysin,sodium 5-hydroxyl-7-methoxyflavone-6-sulfonate(1) was synthesized and its structure was identified on the basis of ^1 H NMR,FT-IR ...In order to enhance water-solubility and biological utilization rate of tectochrysin,sodium 5-hydroxyl-7-methoxyflavone-6-sulfonate(1) was synthesized and its structure was identified on the basis of ^1 H NMR,FT-IR and elemental analysis.5-Hydroxyl-7-methoxyflavone-6-sulfonate was assembled with Ni(II) or Mn(II),hexaquanickel(II) bis(5-hydroxyl-7-methoxyflavone-6-sulfonate) tetrahydrate(2) and hexaquamanganese(II) bis(5-hydroxyl-7-methoxyflavone-6-sulfonate) tetrahydrate(3) were obtained and characterized by IR spectroscopy.The crystal structures of 2 and 3 were determined by X-ray single-crystal diffraction analysis.The results showed that 2 and 3 are isomorphous crystals and crystallize in monoclinic crystal system,space group C2/c.In 2 and 3,the supramolecular structures are organized into hydrophilic and hydrophobic regions.Hydrophilic regions are generated by O–H???O hydrogen bonds among sulfonate groups,latticed water molecules and coordinated water molecules.The π-π stacking interactions assemble the flavone skeletons into columns and these columns form hydrophobic regions.The sulfonate groups play an important role as a bridge of the hydrophilic and hydrophobic regions as well as the inorganic and organic components.Three-dimensional networks of 2 and 3 are furnished by extensive array of hydrogen bonds,π-π stacking interactions and electrostatic interactions.The anti-proliferative activities of 1-3 in vitro against human leukemia cells K562 and human lung cancer cells A549 were evaluated by the standard MTT assay.The pharmacological activity results showed that the introduction of sulfonic acid groups enhanced the antitumor activity of tectochrysin.展开更多
The title compound, [Cu2(C7H5O2)4(C2H6O)2], was synthesized by the reaction of benzoic acid, copper acetate and ethanol in an aqueous solution. Trypan blue dye exclusion method was used in experiment. X-ray single...The title compound, [Cu2(C7H5O2)4(C2H6O)2], was synthesized by the reaction of benzoic acid, copper acetate and ethanol in an aqueous solution. Trypan blue dye exclusion method was used in experiment. X-ray single-crystal analysis has revealed that compound 1 (C32H32Cu2O10) crystallizes in the monoclinic system, space group C2/c, Mr = 703.66, a = 47.340(5), b = 6.6613(4), c = 22.028(2)A,β = 113.284(4)°, V = 6380.6(10) A^3, Z = 8, Dc= 1.465 g/cm^3, F(000) = 2896,μ = 1.388 mm^-11, the final R = 0.0515 and wR = 0.1172 for 5712 observed reflections with I 〉 2σ(I). X-ray crystal structure analysis suggests that compound [CH2(C7H5O2)4(C2H6O)2] has a binuclear structure with two Cu(II) atoms coordinated by four benzoate groups and two ethanol molecules. The crystal packing is stabilized by intermolecular O-H...O hydrogen bonds. The compound inhibits the proliferation of K562 cells (chronic myeloid leukemic cells) significantly and dose-dependently in 48 h, and IC50 of K562 is 17.3μg/mL by trypan blue dye exclusion method.展开更多
The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobe...The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobenzaldehyde, and its crystal structure was determined by singlecrystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9748(4), b = 10.1803(5), c = 11.4603(6), α = 102.882(1), β = 100.253(1), γ = 104.457(1)°, V = 850.95(7)3, Z = 2, F(000) = 392, C16H15Cl2N5S, Mr = 380.29, Dc = 1.484 g/cm3, S = 1.095, μ = 0.512 mm-1, the final R = 0.0301 and wR = 0.0965 for 3334 observed reflections (I 〉 2σ(I)). The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175 μmol/mL and that of Bel7402 is 0.156 μmol/mL.展开更多
The mixed ligand coordination compound of copper with norfloxacin (NFLX) and 1, 10-phen has been synthesized and characterized by means of X-ray single crystal diffraction. The structure features of the coordination ...The mixed ligand coordination compound of copper with norfloxacin (NFLX) and 1, 10-phen has been synthesized and characterized by means of X-ray single crystal diffraction. The structure features of the coordination compound are described. Antibacterial activities of the coordination compound have been tested against different microorganisms. The antitumor activities of the coordination compound on leukemia HL-60 cell line and liver cancer BEL-7402 cell line have been measured, respectively. The results indicated that the coordination compound has strong inhibitory effect on HL-60 and BEL-7402 cell lines.展开更多
The title compound N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide(C(16)H(12)ClN3OS2, Mr = 361.86) was designed and synthesized as anticancer agent, and its crystal structure was determined by singl...The title compound N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide(C(16)H(12)ClN3OS2, Mr = 361.86) was designed and synthesized as anticancer agent, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 5.7417(10), b = 9.8057(17), c = 14.330(3) A, a = 91.987(3), b = 97.154(3), γ = 93.402(3)°, V = 798.4(2) A3, Z = 2, Dc = 1.505 g/cm^3, μ = 0.507 mm-1) F(000) = 372, the final R = 0.0481 and wR = 0.1290 for 2064 observed reflections with I 〉 2s(I). In the crystal packing, the molecules form stacks by a three-dimensional framework, which results from intermolecular N(1)-H(1)···N(2) and C(5)-H(5)···N(3) hydrogen bonds together with π-π stacking interactions between the thiadiazole and chlorobenzene rings. The title compound was found to exhibit more potent in vitro antitumor activities against the four tested cancer cell lines than sorafenib.展开更多
A novel Zn(Ⅱ) complex, [ZnL2(H2O)4]·H2O(1, HL = 2-(nicotinoyloxy)acetic acid), was synthesized using Zn(OAc)2·2H2O and 2-(nicotinoyloxy)acetic acid as raw materials. Its structure has been eluci...A novel Zn(Ⅱ) complex, [ZnL2(H2O)4]·H2O(1, HL = 2-(nicotinoyloxy)acetic acid), was synthesized using Zn(OAc)2·2H2O and 2-(nicotinoyloxy)acetic acid as raw materials. Its structure has been elucidated by elemental analysis, IR and single-crystal X-ray diffraction. The structural analysis revealed that complex 1 crystallizes in triclinic, space group P1 and the Zn(Ⅱ) atom is six-coordinated with two N atoms from two different 2-(nicotinoyloxy)acetate anion ligands and four O atoms from coordinated water molecules. Complex 1 forms a 3D network structure by O–H···O hydrogen bonds. The antitumor activities of 2-(nicotinoyloxy)acetic acid ligand and its Zn(Ⅱ) complex were evaluated against human lung adenocarcinoma A549 cells, human hepatoma SMMC-7721 cells and human colon carcinoma Wi Dr cells.展开更多
The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-...The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 15.2568(6), b = 12.1533(5), c = 16.7307(7) A, Z = 8, V = 3102.2(2) A3, Mr = 317.39, Dc = 1.359 g/cm3, S = 1.05, μ = 0.223 mm-1, F(000) = 1328, the final R = 0.034 and wR = 0.097 for 2590 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line.展开更多
The title compound was synthesized by the reaction of 4-tert-butyl-5-(4-chlorobenzyl)-2-aminothiazole with 2,6-difluorobenzoic acid. The crystal structure of the title compound, C21H19ClF2N2OS, was determined by sin...The title compound was synthesized by the reaction of 4-tert-butyl-5-(4-chlorobenzyl)-2-aminothiazole with 2,6-difluorobenzoic acid. The crystal structure of the title compound, C21H19ClF2N2OS, was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group Pbca with a = 12.6479(13), b = 13.1204(13), c = 14.1341(15), Z = 4, V = 2011.5(4)3, Mr = 420.89, Dc = 1.390 g/cm3, S = 1.023, μ = 0.326 mm-1, F(000) = 872, the final R = 0.0365 and wR = 0.0880 for 6101 observed reflections(I 〉 2σ(I)), and R = 0.0507, wR = 0.0978 for 7779 independent reflections. X-ray crystal structure displays that the hydrogen bonding interactions observed link the molecules to form a dimeric unit. The preliminary biological test of the title compound shows good antitumor activity, with IC50 of 0.046 μmol/mL against the Hela cell line.展开更多
A novel class of 3,4-dihydroisoquinolines (7a~e) was designed, synthesized and characterized by IR, NMR and ESI-MS. The crystal structure of compound 7a (6,7,8-trime- thoxy-1-(4-methoxy-3-nitrophenyl)-4-(pyridi...A novel class of 3,4-dihydroisoquinolines (7a~e) was designed, synthesized and characterized by IR, NMR and ESI-MS. The crystal structure of compound 7a (6,7,8-trime- thoxy-1-(4-methoxy-3-nitrophenyl)-4-(pyridin-4-methyl)-3,4-dihydroisoquinoline, C25H25N3O6, Mr=463.48) was determined by X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/n with a=12.074(5), b=12.896(6), c=15.450(7), β=105.846(5)°, V=2314.4(17) 3, Z=4, Dc=1.330 Mg/m3, μ(MoKα)=0.096 mm-1, F(000)=976, S=0.991, the final R=0.0467 and wR=0.1231 for 4545 unique reflections (Rint=0.0656) with 3117 observed ones. The bioassay showed that compounds 7a~e exhibit moderate antitumor activities in vitro.展开更多
The crystal structure of the title compound(E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4 H-1,2,4-triazol-4-amine(C_(19)H_(19)FN_4O_3S,Mr = 402.44) was synthesized,and its struct...The crystal structure of the title compound(E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4 H-1,2,4-triazol-4-amine(C_(19)H_(19)FN_4O_3S,Mr = 402.44) was synthesized,and its structure was characterized by 1 H-NMR,13 C-NMR,ESI-MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P1 with a = 9.228(13),b = 10.364(14),c = 10.641(14) ?,α = 85.323(3),β = 75.172(2),γ = 80.903(3)°,μ = 0.20 mm^(-1),M_r = 402.44,V = 970.64(10) ?~3,Z = 2,D_c = 1.377 g/cm^3,F(000) = 420,R = 0.0484 and wR = 0.1474 for 3181 observed reflections with I 〉 2σ(I).In addition,the preliminary bioassay indicated that the title compound 5 exhibits better inhibitory activity against Hela than 5-fluorouracil.展开更多
A new Na(I) coordination polymer,[Na2(Hpimdc)(H2 pimdc)(phen)2]n(1), has been synthesized by the reaction of NaOH with 2-propyl-4,5-imidazoledicarboxylic acid(H3 pimdc)and 1,10-phenanthroline(phen). The Na(I) coordina...A new Na(I) coordination polymer,[Na2(Hpimdc)(H2 pimdc)(phen)2]n(1), has been synthesized by the reaction of NaOH with 2-propyl-4,5-imidazoledicarboxylic acid(H3 pimdc)and 1,10-phenanthroline(phen). The Na(I) coordination polymer 1 was characterized by single-crystal X-ray diffraction analysis and elemental analysis. In 1, the bridged ligand H3 pimdc adopts two modes(singly deprotonated and doubly deprotonated) to coordinate with the Na(I) ion.The Na(1) ion is six-coordinated with three N atoms from a phen ligand and a H2 pimdc ligand,three O atoms from a Hpimdc ligand and two other different H2 pimdc ligands. The Na(2) ion is also six-coordinated with three N atoms from a phen ligand and a Hpimdc ligand, three O atoms from a H2 pimdc ligand and other two different Hpimdc ligands. Complex 1 exhibits a 1 D chain structure built up by μ-H2 pimdc-and μ-Hpimdc2-ligands. The antitumor activities of complex 1 against human SGC7901, A549 and H08910 cells have been tested.展开更多
A novel imide nickel complex [Ni(CH3CONCOCH3)2·2(H2O)] was synthesized by the solvothermal reaction of nickel acetate tetrahydrate and acetonitrile.What amazed us is that acetonitrile had changed into acetyl ...A novel imide nickel complex [Ni(CH3CONCOCH3)2·2(H2O)] was synthesized by the solvothermal reaction of nickel acetate tetrahydrate and acetonitrile.What amazed us is that acetonitrile had changed into acetyl imide in enol form during the formation process of the title complex.The complex was characterized by elemental analysis,IR spectrum and X-ray single-crystal diffraction analysis.It crystallizes in the orthorhombic system,space group Pbca with a = 7.4503(7),b = 13.1089(12),c = 14.1303(14),V = 1380.0(2)3,Dc = 1.420 g/cm3,Mr = 294.94,Z = 4,F(000) = 616,μ = 1.422 mm-1,the final R = 0.0487 and wR = 0.1482.The four-coordinated nickel(II) center is surrounded by 4O atoms from two imide ligands and has a distorted square planar geometry.The complex is connected to form a supramolecule with an infinite three-dimensional network through intramolecular and intermolecular hydrogen bonds.Antimicrobial activity was investigated by agar diffusion method,and the result showed that the complex was active against coli bacillus,staphylococcus aureus and bacillus subtilis.The thermal stability of the title complex was also studied by TG-DTA method.展开更多
The title compound,(1S,4R)-4,7,7-trimethyl-6-oxabicyclo [3.2.1] octane-1,4-diol(C(10)H(18)O3), has been synthesized from terpinolene via one-step catalytic synthetic method and structurally characterized by me...The title compound,(1S,4R)-4,7,7-trimethyl-6-oxabicyclo [3.2.1] octane-1,4-diol(C(10)H(18)O3), has been synthesized from terpinolene via one-step catalytic synthetic method and structurally characterized by means of HRMS, IR, 1H-NMR, (13)C-NMR and single-crystal X-ray diffraction. The compound crystallizes in trigonal, space group R-3, with a = 27.892(9), b = 27.892(9), c = 6.720(2) A, γ = 120°, Z = 18, V = 4527(3) A3, Dc = 1.230 g/cm3, Mr = 186.24, λ(Mo Kα) = 0.71073?, μ = 0.09 mm(-1), F(000) = 1836, the final R = 0.051 and wR = 0.161. The title compound molecule contained a 6-oxabicyclo[3.2.1]octane skeleton and two hydroxyl groups, which were connected through intermolecular O–H…O hydrogen bonds to generate a two-dimensional network. Especially, the preliminary bioassay showed that the title compound can promote the root growth and shoot elongation of rape(Brassica campestris) at low concentration(0.62570 mmol·L^-1) and inhibit them at high concentration(〉 70 mmol·L^-1).展开更多
3,3-(1,4-Phenylene)-bis(polysubstituted furo[3,2-d]pyrimidin-4(3 H)-ones 3 were synthesized from the starting material of functionalized iminophosphorane 1 by aza-Wittig reaction. All of the title compounds were chara...3,3-(1,4-Phenylene)-bis(polysubstituted furo[3,2-d]pyrimidin-4(3 H)-ones 3 were synthesized from the starting material of functionalized iminophosphorane 1 by aza-Wittig reaction. All of the title compounds were characterized by 1H NMR, MS and elemental analysis. Meanwhile, the single crystal of compound 3 c, C46H68N6O10, was also obtained and determined by X-ray crystallography. Crystal data: triclinic, space group P1, a = 9.0017(3), b = 10.5908(4), c = 14.0116(5) A, α = 108.582(2)°, β = 94.296(1)°, γ = 105.059(2)°, V = 1204.40(7) ?3, Z = 1, F(000) = 466, Dc = 1.193 g/cm3, μ = 0.084 mm-1, R = 0.0998 and wR = 0.2146 for 4213 independent reflections(Rint = 0.0689) and 2796 observed ones(I > 2σ(I)). The in vitro antitumor activities of compounds 3 a^3 c were preliminarily evaluated by the standard MTT assay.展开更多
N-(5-Aryl-1,3,4-thiadiazol-2-yl)-N?-((E)-styryl)ureas 4 a^4 i were designed and synthesized as antitumor agents, and their structures were characterized by IR, 1 H NMR, 13 C NMR,MS and elemental analysis. The single c...N-(5-Aryl-1,3,4-thiadiazol-2-yl)-N?-((E)-styryl)ureas 4 a^4 i were designed and synthesized as antitumor agents, and their structures were characterized by IR, 1 H NMR, 13 C NMR,MS and elemental analysis. The single crystal of compound 4 a, C17 H13 FN4 OS, was also determined by X-ray crystallography. Crystal data: monoclinic, space group P21/n, a = 4.9401(8), b= 8.7100(15), c = 36.604(6) A,β= 93.320(3)°, V = 1572.4(5) A3, Z = 4, F(000)= 704, Dc = 1.438 g/cm3,μ= 0.228 mm-1, R = 0.0600 and wR = 0.1448 for 2743 independent reflections(Rint =0.0418) and 2174 observed ones(I > 2σ(I)). The in vitro antitumor activities of compounds 4 a^4 i were preliminarily evaluated by the standard MTT assay.展开更多
基金supported by the National Undergraduate Training Programs for Innovation and Entrepreneurship of Hunan Universitythe Natural Science Foundation of Hunan Province(No.12jj3012)
文摘The title compound, 4-(tert-butyl)-5-(1 H- 1,2,4-triazol- 1 -yl)-N-(2-hydroxy-3,5-diio- dinebenzyl)thiazol-2-amine, was synthesized via the reduction of 4-(tert-butyl)-5-(1H-l,2,4- triazol-l-yl)-N-benzylidene-thiazol-2-amine with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 7.91944(19), b = 10.5250(3), c = 24.4985(6) A, Z = 4, V = 2041.66(9) A3, Mr = 599.22, Dc = 1,949 Mg/m3, S = 1.120, p = 3.203 mm-1, F(000) = 1152, the final R = 0.0283 and wR = 0.0592 for 3490 observed reflections (I 〉 2σ(I)). X-ray analysis displays that the crystal water takes part in three intermolecular hydrogen bonds of O(2)-H(2A)…O(1), O(2)-H(2B)…N(I) and N(5)-H(5)…O(2), and an octatomic ring R^(8) is formed via intramolecular hydrogen bond of O(I)-H(IA)…N(4). Furthermore, the I…I contacts are involved in stabilizing the overall three-dimensional network structure. The preliminary biological test shows the title compound has good antitumor activity with the IC50 value of 26 μM against the Hela cell line.
基金supported by the National Natural Science Foundation of China(No.21002048)the Project of Outstanding Young Teachers in Guangdong Province(No.C1032190)
文摘The title compound 6-chloro-l-((6-chloropyridin-3-yl)methyl)-3-phenyl-lH-benzofuro[3,2-c]pyrazole(5,C21H13Cl2N3O,Mr = 394.26) was synthesized and characterized by elemental analysis,^1H NMR,^13C NMR and X-ray single-crystal diffraction.The structure reveals that the crystal belongs to the triclinic system,space group P1 with a = 7.8829(8),b = 10.3281(10),c = 11.7615(12)A°,α = 83.5552(2),β = 79.921(2),γ = 70.189(2)°,V= 885.54(15) A°3,Z = 2,Dc =1.479 g/cm^3,μ = 0.383 mm^-1,F(000) = 404,R = 0.0538 and wR = 0.1335 for 2453 observed reflections with I 〉 2σ(I).The result reveals that the crystal structure of the title compound 5 is stabilized by three C-Cl…π interactions and π…π stacking interaction.In addition,the preliminary investigation showed that 5 exhibits remarkably good antitumor activity against the MCF-7 and A549 cell lines.
基金Project supported by the National Natural Science Foundation of China(No.21442014)
文摘The title compound, (E)-1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)- 3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol (3a), was synthesized by the Aldol con- densation reaction of 1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)-2-(1,2,4-triazol- 1-yl)ethanone with 2-methoxybenzaldehyde and then reduced with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction: monoclinic system, space group P21 with a = 6.2002(3), b = 12.8452(7), c = 13.2257(7) ?, Z = 2, V = 1031.23(9) ?3, Mr = 407.46, Dc = 1.312 Mg/m3, S = 1.054, μ = 0.091 mm-1, F(000) = 432, the final R = 0.0353 and wR = 0.0769 for 3161 observed reflections (I 〉 2σ(I)). X-ray analysis displays that the title compound adopts an E configuration for the C(7)=C(8) double bond and S configuration for the chirality center with the specific rotation of –63.75°. Furthermore, the stability of the crystal was maintained through the intermolecular hydrogen bond O(1)–H???N(3). The antitumor assay exhibits that the title compound 3a (E configuration) has a good antitumor activity against the Hela cell line with the IC50 value of 36.9 μM, which is better than that of 3b (Z configuration).
基金Project supported by the Natural Science Foundation of Jiangsu Province(BK20151516)the Open Fundation from Jiangsu Key Lab of Biomass-based Green Fuels and Chemicals
文摘The title compound(C(37)H(48)BrNO5, 6) was synthesized from ursolic acid and its crystal structure was determined by single-crystal X-ray diffraction analysis. The compound is of orthorhombic system, space group P212121 with a = 16.846(3), b = 18.844(4), c = 11.262(2)A, Z =4, V = 3575.1(13) A^3, Mr = 666.67, Dc = 1.239 Mg/m^3, S = 1.002, μ = 1.190 mm^-1, F(000) = 1408,the final R = 0.0831 and wR = 0.1459 for 2286 observed reflections(I 〉 2σ(I)). The crystal structure is stabilized by two intermolecular hydrogen bonds(N–H(0A)···O(2) and O(1)–H(1A)···O(3)). In the preliminary antitumor assay, the title compound 6 exhibits potent cytotoxic activity against Hep G2 and SMMC-7721 cells with IC50 values of 1.64 ± 0.21 and 1.22 ± 0.13 μM, respectively.
基金supported by the National Natural Science Foundation of China(No.21171132)the Project of Shandong Province Higher Educational Science and Technology Program(J14LC01)Science Foundation of Weifang
文摘A new Zn(Ⅱ) complex, [Zn(L)2(phen)(H2O)](1, HL = N-acetyl-L-phenylalanine, phen = 1,10-phenanthroline) has been synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction analysis. The Zn(Ⅱ) complex belongs to monoclinic, space group P21 with a = 12.6749(13), b = 5.5965(6), c = 22.985(2) A, β = 104.296(2)°, V = 1580.0(3) A^3, Z = 2, Mr = 676.02, Dc = 1.421 μg·m^(-3), μ = 0.833 mm^-1, F(000) = 704, and the final R = 0.0460, wR = 0.0899 for 4422 observed reflections with I 〉 2σ(I). The molecules form a 1D chained structure by hydrogen bonds. The antitumor activities of Zn(Ⅱ) complex against human hepatoma SMMC-7721 cells, human lung adenocarcinoma A549 cells and human colon carcinoma WiDr cells have also been investigated.
基金supported by the Youth Backbone Teachers Project Funded by Xianyang Normal University(No.XSYGG201606)Scientific Research Program Funded by Shaanxi Provincial Education Department(No.16JK1822)Natural Science Basic Research Plan Funded by Shaanxi Province of China(No.2016JM5024)
文摘In order to enhance water-solubility and biological utilization rate of tectochrysin,sodium 5-hydroxyl-7-methoxyflavone-6-sulfonate(1) was synthesized and its structure was identified on the basis of ^1 H NMR,FT-IR and elemental analysis.5-Hydroxyl-7-methoxyflavone-6-sulfonate was assembled with Ni(II) or Mn(II),hexaquanickel(II) bis(5-hydroxyl-7-methoxyflavone-6-sulfonate) tetrahydrate(2) and hexaquamanganese(II) bis(5-hydroxyl-7-methoxyflavone-6-sulfonate) tetrahydrate(3) were obtained and characterized by IR spectroscopy.The crystal structures of 2 and 3 were determined by X-ray single-crystal diffraction analysis.The results showed that 2 and 3 are isomorphous crystals and crystallize in monoclinic crystal system,space group C2/c.In 2 and 3,the supramolecular structures are organized into hydrophilic and hydrophobic regions.Hydrophilic regions are generated by O–H???O hydrogen bonds among sulfonate groups,latticed water molecules and coordinated water molecules.The π-π stacking interactions assemble the flavone skeletons into columns and these columns form hydrophobic regions.The sulfonate groups play an important role as a bridge of the hydrophilic and hydrophobic regions as well as the inorganic and organic components.Three-dimensional networks of 2 and 3 are furnished by extensive array of hydrogen bonds,π-π stacking interactions and electrostatic interactions.The anti-proliferative activities of 1-3 in vitro against human leukemia cells K562 and human lung cancer cells A549 were evaluated by the standard MTT assay.The pharmacological activity results showed that the introduction of sulfonic acid groups enhanced the antitumor activity of tectochrysin.
基金supported by the Natural Science Foundation of Fujian Province (No Z0516028) DAIICHI PHARMACEUTICAL (BEIJING) CO, LTD (No 06B004)
文摘The title compound, [Cu2(C7H5O2)4(C2H6O)2], was synthesized by the reaction of benzoic acid, copper acetate and ethanol in an aqueous solution. Trypan blue dye exclusion method was used in experiment. X-ray single-crystal analysis has revealed that compound 1 (C32H32Cu2O10) crystallizes in the monoclinic system, space group C2/c, Mr = 703.66, a = 47.340(5), b = 6.6613(4), c = 22.028(2)A,β = 113.284(4)°, V = 6380.6(10) A^3, Z = 8, Dc= 1.465 g/cm^3, F(000) = 2896,μ = 1.388 mm^-11, the final R = 0.0515 and wR = 0.1172 for 5712 observed reflections with I 〉 2σ(I). X-ray crystal structure analysis suggests that compound [CH2(C7H5O2)4(C2H6O)2] has a binuclear structure with two Cu(II) atoms coordinated by four benzoate groups and two ethanol molecules. The crystal packing is stabilized by intermolecular O-H...O hydrogen bonds. The compound inhibits the proliferation of K562 cells (chronic myeloid leukemic cells) significantly and dose-dependently in 48 h, and IC50 of K562 is 17.3μg/mL by trypan blue dye exclusion method.
基金Supported by the Natural Science Foundation of Hunan Province (No. 07JJ302)
文摘The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobenzaldehyde, and its crystal structure was determined by singlecrystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9748(4), b = 10.1803(5), c = 11.4603(6), α = 102.882(1), β = 100.253(1), γ = 104.457(1)°, V = 850.95(7)3, Z = 2, F(000) = 392, C16H15Cl2N5S, Mr = 380.29, Dc = 1.484 g/cm3, S = 1.095, μ = 0.512 mm-1, the final R = 0.0301 and wR = 0.0965 for 3334 observed reflections (I 〉 2σ(I)). The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175 μmol/mL and that of Bel7402 is 0.156 μmol/mL.
基金funded by the National Natural Science Foundation of China(No.50073019)
文摘The mixed ligand coordination compound of copper with norfloxacin (NFLX) and 1, 10-phen has been synthesized and characterized by means of X-ray single crystal diffraction. The structure features of the coordination compound are described. Antibacterial activities of the coordination compound have been tested against different microorganisms. The antitumor activities of the coordination compound on leukemia HL-60 cell line and liver cancer BEL-7402 cell line have been measured, respectively. The results indicated that the coordination compound has strong inhibitory effect on HL-60 and BEL-7402 cell lines.
基金supported by the National Natural Science Foundation of China(No.21262012)the Natural Science Foundation of Hubei Province(No.2016CFB400)the State Undergraduate Innovative Training Program(No.201410517002)
文摘The title compound N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide(C(16)H(12)ClN3OS2, Mr = 361.86) was designed and synthesized as anticancer agent, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 5.7417(10), b = 9.8057(17), c = 14.330(3) A, a = 91.987(3), b = 97.154(3), γ = 93.402(3)°, V = 798.4(2) A3, Z = 2, Dc = 1.505 g/cm^3, μ = 0.507 mm-1) F(000) = 372, the final R = 0.0481 and wR = 0.1290 for 2064 observed reflections with I 〉 2s(I). In the crystal packing, the molecules form stacks by a three-dimensional framework, which results from intermolecular N(1)-H(1)···N(2) and C(5)-H(5)···N(3) hydrogen bonds together with π-π stacking interactions between the thiadiazole and chlorobenzene rings. The title compound was found to exhibit more potent in vitro antitumor activities against the four tested cancer cell lines than sorafenib.
基金supported by the National Natural Science Foundation of China(No.21171132)the Project of Shandong Province Higher Educational Science and Technology Program(J14LC01)Science Foundation of Weifang
文摘A novel Zn(Ⅱ) complex, [ZnL2(H2O)4]·H2O(1, HL = 2-(nicotinoyloxy)acetic acid), was synthesized using Zn(OAc)2·2H2O and 2-(nicotinoyloxy)acetic acid as raw materials. Its structure has been elucidated by elemental analysis, IR and single-crystal X-ray diffraction. The structural analysis revealed that complex 1 crystallizes in triclinic, space group P1 and the Zn(Ⅱ) atom is six-coordinated with two N atoms from two different 2-(nicotinoyloxy)acetate anion ligands and four O atoms from coordinated water molecules. Complex 1 forms a 3D network structure by O–H···O hydrogen bonds. The antitumor activities of 2-(nicotinoyloxy)acetic acid ligand and its Zn(Ⅱ) complex were evaluated against human lung adenocarcinoma A549 cells, human hepatoma SMMC-7721 cells and human colon carcinoma Wi Dr cells.
基金Project supported by the National Technology R&D Program (No. 2011 BAE06B01)
文摘The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 15.2568(6), b = 12.1533(5), c = 16.7307(7) A, Z = 8, V = 3102.2(2) A3, Mr = 317.39, Dc = 1.359 g/cm3, S = 1.05, μ = 0.223 mm-1, F(000) = 1328, the final R = 0.034 and wR = 0.097 for 2590 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line.
基金Project supported by the National Technology R&D Program(No.2011 BAE06B01)
文摘The title compound was synthesized by the reaction of 4-tert-butyl-5-(4-chlorobenzyl)-2-aminothiazole with 2,6-difluorobenzoic acid. The crystal structure of the title compound, C21H19ClF2N2OS, was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group Pbca with a = 12.6479(13), b = 13.1204(13), c = 14.1341(15), Z = 4, V = 2011.5(4)3, Mr = 420.89, Dc = 1.390 g/cm3, S = 1.023, μ = 0.326 mm-1, F(000) = 872, the final R = 0.0365 and wR = 0.0880 for 6101 observed reflections(I 〉 2σ(I)), and R = 0.0507, wR = 0.0978 for 7779 independent reflections. X-ray crystal structure displays that the hydrogen bonding interactions observed link the molecules to form a dimeric unit. The preliminary biological test of the title compound shows good antitumor activity, with IC50 of 0.046 μmol/mL against the Hela cell line.
基金Supported by Shanghai Pujiang Talent Foundation (No. 09PJ1400300)Shanghai Key Basic Research Program (No. 09JC1417500)
文摘A novel class of 3,4-dihydroisoquinolines (7a~e) was designed, synthesized and characterized by IR, NMR and ESI-MS. The crystal structure of compound 7a (6,7,8-trime- thoxy-1-(4-methoxy-3-nitrophenyl)-4-(pyridin-4-methyl)-3,4-dihydroisoquinoline, C25H25N3O6, Mr=463.48) was determined by X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/n with a=12.074(5), b=12.896(6), c=15.450(7), β=105.846(5)°, V=2314.4(17) 3, Z=4, Dc=1.330 Mg/m3, μ(MoKα)=0.096 mm-1, F(000)=976, S=0.991, the final R=0.0467 and wR=0.1231 for 4545 unique reflections (Rint=0.0656) with 3117 observed ones. The bioassay showed that compounds 7a~e exhibit moderate antitumor activities in vitro.
基金supported by the National Natural Science Foundation of China(N0.21372113)the Guangzhou Science and Technology Project(No.201707010198)
文摘The crystal structure of the title compound(E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4 H-1,2,4-triazol-4-amine(C_(19)H_(19)FN_4O_3S,Mr = 402.44) was synthesized,and its structure was characterized by 1 H-NMR,13 C-NMR,ESI-MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P1 with a = 9.228(13),b = 10.364(14),c = 10.641(14) ?,α = 85.323(3),β = 75.172(2),γ = 80.903(3)°,μ = 0.20 mm^(-1),M_r = 402.44,V = 970.64(10) ?~3,Z = 2,D_c = 1.377 g/cm^3,F(000) = 420,R = 0.0484 and wR = 0.1474 for 3181 observed reflections with I 〉 2σ(I).In addition,the preliminary bioassay indicated that the title compound 5 exhibits better inhibitory activity against Hela than 5-fluorouracil.
基金supported by the National Natural Science Foundation of China(No.21171132)the Project of Shandong Province Higher Educational Science and Technology Program(J14LC01)Science Foundation of Weifang
文摘A new Na(I) coordination polymer,[Na2(Hpimdc)(H2 pimdc)(phen)2]n(1), has been synthesized by the reaction of NaOH with 2-propyl-4,5-imidazoledicarboxylic acid(H3 pimdc)and 1,10-phenanthroline(phen). The Na(I) coordination polymer 1 was characterized by single-crystal X-ray diffraction analysis and elemental analysis. In 1, the bridged ligand H3 pimdc adopts two modes(singly deprotonated and doubly deprotonated) to coordinate with the Na(I) ion.The Na(1) ion is six-coordinated with three N atoms from a phen ligand and a H2 pimdc ligand,three O atoms from a Hpimdc ligand and two other different H2 pimdc ligands. The Na(2) ion is also six-coordinated with three N atoms from a phen ligand and a Hpimdc ligand, three O atoms from a H2 pimdc ligand and other two different Hpimdc ligands. Complex 1 exhibits a 1 D chain structure built up by μ-H2 pimdc-and μ-Hpimdc2-ligands. The antitumor activities of complex 1 against human SGC7901, A549 and H08910 cells have been tested.
基金supported by the Natural Science Foundation of Jiangsu Province (No. BK2005045) and Key Marine Biotechnology Lab.of HHIT
文摘A novel imide nickel complex [Ni(CH3CONCOCH3)2·2(H2O)] was synthesized by the solvothermal reaction of nickel acetate tetrahydrate and acetonitrile.What amazed us is that acetonitrile had changed into acetyl imide in enol form during the formation process of the title complex.The complex was characterized by elemental analysis,IR spectrum and X-ray single-crystal diffraction analysis.It crystallizes in the orthorhombic system,space group Pbca with a = 7.4503(7),b = 13.1089(12),c = 14.1303(14),V = 1380.0(2)3,Dc = 1.420 g/cm3,Mr = 294.94,Z = 4,F(000) = 616,μ = 1.422 mm-1,the final R = 0.0487 and wR = 0.1482.The four-coordinated nickel(II) center is surrounded by 4O atoms from two imide ligands and has a distorted square planar geometry.The complex is connected to form a supramolecule with an infinite three-dimensional network through intramolecular and intermolecular hydrogen bonds.Antimicrobial activity was investigated by agar diffusion method,and the result showed that the complex was active against coli bacillus,staphylococcus aureus and bacillus subtilis.The thermal stability of the title complex was also studied by TG-DTA method.
基金Supported by the National Natural Science Foundation of China(No.31460174)the Science and Research Start-Up Project for the Recruit Talent of Guangxi University for Nationalities(No.2014MDQD014)Innovation Project of Guangxi Graduate Education(gxun-chxzs2016113)
文摘The title compound,(1S,4R)-4,7,7-trimethyl-6-oxabicyclo [3.2.1] octane-1,4-diol(C(10)H(18)O3), has been synthesized from terpinolene via one-step catalytic synthetic method and structurally characterized by means of HRMS, IR, 1H-NMR, (13)C-NMR and single-crystal X-ray diffraction. The compound crystallizes in trigonal, space group R-3, with a = 27.892(9), b = 27.892(9), c = 6.720(2) A, γ = 120°, Z = 18, V = 4527(3) A3, Dc = 1.230 g/cm3, Mr = 186.24, λ(Mo Kα) = 0.71073?, μ = 0.09 mm(-1), F(000) = 1836, the final R = 0.051 and wR = 0.161. The title compound molecule contained a 6-oxabicyclo[3.2.1]octane skeleton and two hydroxyl groups, which were connected through intermolecular O–H…O hydrogen bonds to generate a two-dimensional network. Especially, the preliminary bioassay showed that the title compound can promote the root growth and shoot elongation of rape(Brassica campestris) at low concentration(0.62570 mmol·L^-1) and inhibit them at high concentration(〉 70 mmol·L^-1).
基金supported by the fund of Hubei Cooperative Innovation Center(No.2011JH-2014CXTT07)the Key Project of Project of Hubei University of Medicine(No.2014CXZ-05)
文摘3,3-(1,4-Phenylene)-bis(polysubstituted furo[3,2-d]pyrimidin-4(3 H)-ones 3 were synthesized from the starting material of functionalized iminophosphorane 1 by aza-Wittig reaction. All of the title compounds were characterized by 1H NMR, MS and elemental analysis. Meanwhile, the single crystal of compound 3 c, C46H68N6O10, was also obtained and determined by X-ray crystallography. Crystal data: triclinic, space group P1, a = 9.0017(3), b = 10.5908(4), c = 14.0116(5) A, α = 108.582(2)°, β = 94.296(1)°, γ = 105.059(2)°, V = 1204.40(7) ?3, Z = 1, F(000) = 466, Dc = 1.193 g/cm3, μ = 0.084 mm-1, R = 0.0998 and wR = 0.2146 for 4213 independent reflections(Rint = 0.0689) and 2796 observed ones(I > 2σ(I)). The in vitro antitumor activities of compounds 3 a^3 c were preliminarily evaluated by the standard MTT assay.
基金supported by the National Natural Science Foundation of China(No.21262012)the Natural Science Foundation of Hubei Province(No.2016CFB400)
文摘N-(5-Aryl-1,3,4-thiadiazol-2-yl)-N?-((E)-styryl)ureas 4 a^4 i were designed and synthesized as antitumor agents, and their structures were characterized by IR, 1 H NMR, 13 C NMR,MS and elemental analysis. The single crystal of compound 4 a, C17 H13 FN4 OS, was also determined by X-ray crystallography. Crystal data: monoclinic, space group P21/n, a = 4.9401(8), b= 8.7100(15), c = 36.604(6) A,β= 93.320(3)°, V = 1572.4(5) A3, Z = 4, F(000)= 704, Dc = 1.438 g/cm3,μ= 0.228 mm-1, R = 0.0600 and wR = 0.1448 for 2743 independent reflections(Rint =0.0418) and 2174 observed ones(I > 2σ(I)). The in vitro antitumor activities of compounds 4 a^4 i were preliminarily evaluated by the standard MTT assay.