A metal-organic coordination polymer [ZnE.s(phen)(BDC)2(OH)]2 (phen = 1,10- phenanthroline, BDC = benzene-1,4-dicarboxylic acid) 1 has been hydrothermally synthesized and structurally characterized by single-c...A metal-organic coordination polymer [ZnE.s(phen)(BDC)2(OH)]2 (phen = 1,10- phenanthroline, BDC = benzene-1,4-dicarboxylic acid) 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The complex crystallizes in the triclinic system, space group PI with a = 11.199(2), b = 11.593(2), c = 11.865(3)/A, α= 99.330(1), β = 111.506(1), γ = 104.804(1)^o, V= 1328.4(5)A^3, Dc= 1.722 g/cm^3, Z = 1, Mr = 1377.82, F(000) = 692,μ(MoKa) = 2.306 mm^-1, S = 1.093, R= 0.0281 and wR = 0.0756 for 4179 observed reflections (I 〉 2σ(/)). The coordination polyhedron around Zn(II) can be described as a tetrahedron, trigonal bipyramid and octahedron. It is worth noting that the crystal structure of 1 is composed of tetranuclear zinc clusters linked by {ZnO6} units.展开更多
A one-dimensional (1D) supramolecular rare earth complex [Nd(NO3)2L2-(C3H6O)][NdL(NO3)4]} (L=N-(6-(4-methylpyridinyl))ketoacetamide) has been prepared and characterized by elemental analysis, IR and elec...A one-dimensional (1D) supramolecular rare earth complex [Nd(NO3)2L2-(C3H6O)][NdL(NO3)4]} (L=N-(6-(4-methylpyridinyl))ketoacetamide) has been prepared and characterized by elemental analysis, IR and electronic spectroscopy, and single-crystal X-ray diffraction. The crystal crystallizes in the triclinic system, space group P1^- with a=0.9146(6), b=1.2581(8), c=2.2316(14) nm, α=99.352(10),β=97.209(9), γ=103.935(9)°, V=2.422(3) nm3, Dc=1.776 g/cm^3, C33H42N12Nd2O25, Mr=1295.27, Z=2, F(000)=1288, μ=2.217 mm-1, R=0.0508and wR=0.1046 for 5173 observed reflections (I 〉 2σ(I)). In the structure of the title complex,one-dimensional supramolecular double-chains are formed by intermolecular hydrogen bonding interactions.展开更多
A new complex, [Cd(Himc)2(H2O)2] 1, obtained from imidazole-4-carboxylatic acid (H2imc) and Cd(ClO4)2·6H2O, has been synthesized. The crystal structure was determined by X-ray diffraction. The title compo...A new complex, [Cd(Himc)2(H2O)2] 1, obtained from imidazole-4-carboxylatic acid (H2imc) and Cd(ClO4)2·6H2O, has been synthesized. The crystal structure was determined by X-ray diffraction. The title compound crystallizes in the orthorhombic system, space group Pccn, with a = 7.4886(11), b = 11.9667(18), c = 13.550(2) A, V= 1214.3(3) A3, Z = 4, Mr= 370.60, Dc = 2.027 mg/m3, F(000) = 728,μ (MoKa) = 1.829 mm^-1, the final R = 0.0243 and wR = 0.0591 for 1150 unique reflections with I 〉 2σ(I). The cadmium(II) center in the title complex is coordinated with two oxygen and two nitrogen atoms from two bidentate chelated imidazole-4-carboxlate ligands together with two water molecules, giving a distorted octahedral coordination geometry. A one-dimensional hydrogen bonding chain is formed via intermolecular O-H...O hydrogen bonds, and such adjacent chains are further stacked through intermolecular π-π and hydrogen bonding interactions to form a 3D supramolecular framework. Complex 1 exhibits a fluorescent emission band at 290 nm (λex = 236 nm) in the solid state.展开更多
The supramolecular compound [(AgI3)(4-HBPFA)2(H2O)] (Mr = 1361.11) was synthesized via the reaction of 1,1?-bis[(4-pyridylamino)carbonyl]ferrocene (4-BPFA) with AgI, and structurally characterized by single-crystal X-...The supramolecular compound [(AgI3)(4-HBPFA)2(H2O)] (Mr = 1361.11) was synthesized via the reaction of 1,1?-bis[(4-pyridylamino)carbonyl]ferrocene (4-BPFA) with AgI, and structurally characterized by single-crystal X-ray diffraction analysis. Crystal data: monoclinic, space group C2/c, a = 1.6783(3), b = 10.646(2), c = 2.5419(5) ?, β = 93.66(3)o, V = 4532.2(16) ?3, Z = 4, Dc = 1.995 g/cm3, F(000) = 2632 and μ = 3.158 mm-1. The compound consists of (4- HBPFA)+, (AgI3)2- and H2O. In the structure, the adjacent (4-HBPFA)+ are linked by C–H…O and N–H…N hydrogen bonds into 1-D chains which are further linked by C–H…I and N–H…I hydrogen bonds as well as intermolecular π-π stacking interactions to form a 3-D supramolecular compound.展开更多
A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray di...A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray diffraction. The crystal crystallizes in the triclinic system, molecular formula ZnC12H16N2O8, Mr=381.64, space group P with a = 6.338(1), b =6.919(1), c=9.277(1), α=96.28(1), β=104.91(1), γ=112.85(1)°, V=352.12(9)?3, Z=1, Dc=1.80g?cm-3 and F(000)=196, μ =1.791mm-1. The crystal structure was solved by direct methods for final R=0.0204 and Rw=0.0542 for 1258 observed reflections with [Fo>4σ(Fo)]. The crystal structure reveals that zinc ion is trans-octahedral with two pyridyl nitrogens and two aque oxygens at the equational positions and two aqua oxygens at the axial positions. The complex forms a three-dimensional network through intermolecular hydrogen bonds.展开更多
The title complex is a new binuclear Zn(Ⅱ) with chelate ligand of Schiff base containing S and N atom.The complex crystallizes in the orthorhombicspace group Pccn,with a=12.338(9),b=16.666(8),c=17.503(6),V=3599(6),Mr...The title complex is a new binuclear Zn(Ⅱ) with chelate ligand of Schiff base containing S and N atom.The complex crystallizes in the orthorhombicspace group Pccn,with a=12.338(9),b=16.666(8),c=17.503(6),V=3599(6),Mr=723.52,Z=4,Dx=1.34 g/cm3,μ=15.22 cm-1,F(000)=1488.The structure was solved by direct methods and the final R=0.078.The crystal consists of discrete molecules with symmetric center at the center of the fourmembered ring consisting of two Zn atoms and two O atoms.展开更多
The title complex [bis(dien)zinc(Ⅱ)] zinc(Ⅱ) tetrachloride was synthesized and characterized by X-ray single-crystal diffraction, elemental analysis, electric conductivity, IR and electronic spectra. The compo...The title complex [bis(dien)zinc(Ⅱ)] zinc(Ⅱ) tetrachloride was synthesized and characterized by X-ray single-crystal diffraction, elemental analysis, electric conductivity, IR and electronic spectra. The compound crystallizes in the tetragonal system, space group I^-4 with a = 10.250(3), b = 10.250(3), c = 9.054(2) V = 951.2(5)A^3, Mr = 486.95, Z = 2, F(000) = 504, Dc = 1.700 g/cm&3,μ = 3.083 mm^-1, λ. = 0.71073A, the final R = 0.0226 and wR = 0.0642. The symmetric crystal smacture consists of a zinc complex cation [Zn(dien)2]^2+ and a zinc tetrachloride aniOn [ZnC14]^2-, forming a three, dimensional framework through intrmnolecular and intermolecular hydrogen bonds.展开更多
Reaction of Zn(ClO4)2·6H2O with septadentate 2,6-bis[bis(2-benzimidazolylme-thyl)amino methyl]-4-methylphenol (Hbbap) and sodium isonicotinate yielded a dinuclear zinc complex[Zn2(bbap) (Iso) (Hiso)] (ClO4)2·...Reaction of Zn(ClO4)2·6H2O with septadentate 2,6-bis[bis(2-benzimidazolylme-thyl)amino methyl]-4-methylphenol (Hbbap) and sodium isonicotinate yielded a dinuclear zinc complex[Zn2(bbap) (Iso) (Hiso)] (ClO4)2·[Zn2 (bbap) (Iso) (H2O)] (ClO4)2·4H2O(1a·1b·4H2O). Hiso isisonicotinic acid and Iso is isonicotinate anion. The structure has been established by X-raycrystallography and shows that the two zinc ions are bridged by the phenoxy unit of bbap- ligand,and the presence of unusual monodentate O-coordination of carboxylate group from isonicotinicacid. The coordination geometry around the zinc ion is approximately trigonal bipyramidal.展开更多
Two new ternary complexes [Zη(3-aba)2(phen)]·2.58H2O 1 and {[Cd(3-aba)- (phen)2]·(NO3)·(1.5H2O) }n 2 (3-aba = 3-aminobenzoic acid anion, phen = 1,10-phenanthroline) were synthesized and c...Two new ternary complexes [Zη(3-aba)2(phen)]·2.58H2O 1 and {[Cd(3-aba)- (phen)2]·(NO3)·(1.5H2O) }n 2 (3-aba = 3-aminobenzoic acid anion, phen = 1,10-phenanthroline) were synthesized and characterized by elemental analysis, IR, UV spectrum and X-ray diffraction. Complex 1 crystallizes in the rhombohedral system, space group R3 with a = 3.5733(3), b = 3.5733(3), c = 1.1231(2) nm; V= 12.419(3) nm^3, C26H25.17NaO6.58Zn, Mr= 564.37, Z= 18, F(000) = 5253, μ= 0.937 mm^-1, Dc = 1.358 g/cm^3, R = 0.0668 and wR = 0.1690 for 2424 observed reflections (I〉 2σ(I)). Complex 2 belongs to the tetragonal system, space group P4/ncc with a = 2.88451(10), b = 2.88451(10), c = 1.55571(11) nm, V= 12.9441(11) nm^3, C31H25CdN6O6.50, Mr = 697.97, Z = 16, F(000) = 5648,μ=0.727 mm^-1, Dc= 1.433 g/cm^3, R = 0.0607 and wR = 0.1742 for 3468 observed reflections (I 〉 2σ(I)). Complex 1 displays a mononuclear structure. The carboxylate group of 3-aminobenzoic acid anion coordinates to Zn(Ⅱ) in a chelating bidentate mode, and the nitrogen atom of the ligand does not involve in coordination. Complex 2 exhibits a one-dimensional chain structure with 3-aminobenzoic acid anion coordinating to Cd(Ⅱ) in a μ2-bridging mode through its nitrogen atom and one of its oxygen atoms.展开更多
The title zinc(Ⅱ) complex salt [Zn(H2O)6](ClO4)2-(PNOS)4, where PNOS is derived from picolinaldehyde N-oxide with semicarbazone, has been prepared and structurally characterized by X-ray single-crystal analys...The title zinc(Ⅱ) complex salt [Zn(H2O)6](ClO4)2-(PNOS)4, where PNOS is derived from picolinaldehyde N-oxide with semicarbazone, has been prepared and structurally characterized by X-ray single-crystal analysis. It crystallizes in triclinic, space group PI with a = 7.529(3), b = 10.206(4), c = 14.678(6)A, a = 86.293(6), β= 87.686(7), γ= 81.382(6)°, C28H44Cl2N16O22Zn, Mr = 1093.06, V = 1112.3(8) ,A^3 Z = 1, Dc = 1.632 g/cm^3, S = 1.089, μ(MoKa) = 0.773 mm^-1, F(000) = 564, the final R = 0.0438 and wR = 0.1076 for 3888 independent reflections with Rint = 0.0224. The crystal structure possesses a [Zn(H2O)6]^2+ cation, two ClO4^- anions and four PNOSs. In the crystal structure, Zn^2+ cation is located at the symcenter and coordinated by six water molecules. In [Zn(H2O)6]^2+, an elongate octahedral complex cation, the average Zn-O bond length is 2.087(2) A. There exist a lot of H bonds in the structure, linking the cation [Zn(H2O)6]^2+, anion ClO4^- and PNOS to form a 3D network.展开更多
A new metal-organic complex Zn2(cbba)4(phen)2 (Hcbba = 2-(4'chlorine-ben- zoyl)benzoic acid, phen = 1,10-phenanthroline) 1 has been hydrothermally synthesized and structurally characterized by elemental analy...A new metal-organic complex Zn2(cbba)4(phen)2 (Hcbba = 2-(4'chlorine-ben- zoyl)benzoic acid, phen = 1,10-phenanthroline) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, fluorescence spectrum and single-crystal X-ray diffraction. The compound crystallizes in orthorhombic, space group Pbcn with a = 12.0821(II), b = 18.3140(17), c = 30.961(3) A, V= 6850.7(11) A^3, C80H48C14N4O12Zn2, Mr= 1529.76, Dc = 1.483 g/cm^3,μ(MoKa) = 0.925 mm^-1, F(000) = 3120, Z = 4, the final R = 0.0559 and wR = 0.1146 for 3963 observed reflections (I〉 2σ(I)). In the crystal structure, the zinc atom is five-coordinated with three carboxylate oxygen atoms from three different cbba ligands and two nitrogen atoms from the phen ligand, showing a distorted square-pyramidal geometry. Furthermore, it exhibits a 3D supramolecular network through π-π interactions and shows yellow photoluminescent property at room temperature.展开更多
Two new zinc(Ⅱ) complexes, [Zn2L2Ch].2[ZnL(CH3OH)Cl2] 1 and [ZnL2(NO3)2] 2, were synthesized by reacting ZnX2.nH2O (X = Cl^-, NO3^-) and a Schiff base ligand 2-[(4-methylphenylimino)methyl]-6-methoxyphenol ...Two new zinc(Ⅱ) complexes, [Zn2L2Ch].2[ZnL(CH3OH)Cl2] 1 and [ZnL2(NO3)2] 2, were synthesized by reacting ZnX2.nH2O (X = Cl^-, NO3^-) and a Schiff base ligand 2-[(4-methylphenylimino)methyl]-6-methoxyphenol (C15HIsNO2, L) which was obtained by the condensation of o-vanillin (2-hydroxy-3-methoxybenzaldehyde) with p-toluidine. Both 1 and 2 were characterized by single-crystal X-ray diffraction technique, elemental analysis, molar conductance, FT-IR, UV-Vis, IH-NMR spectra and thermogravimetrie analysis. The Schiff base ligand and its zinc(Ⅱ) complexes have been tested in vitro to evaluate their antibacterial activity against bacteria, viz., Escherichia Coli, Staphylococcus aureus and Bacillus Subtilis. The results show that these complexes have higher activity than the corresponding free Schiff base ligand against the same bacteria.展开更多
A new zinc(II) complex, Zn(2-NH2py)2Br2 (py=pyridine), has been synthesized, and its molecular structure has been confirmed by IR, elemental analysis and -ray crystal structure analysis. Its space group is P21/n with...A new zinc(II) complex, Zn(2-NH2py)2Br2 (py=pyridine), has been synthesized, and its molecular structure has been confirmed by IR, elemental analysis and -ray crystal structure analysis. Its space group is P21/n with Mr=413.43 (C10H12Br2N4Zn), a=7.435(2), b=12.865(3), c=14.186(4)? b=94.08(2)? V=1353.5(5) 3, Z=4, Dc=2.029 g/cm3, F(000)=328, ?2.378mm-1, R=0.0283, wR=0.0501. The total observed reflections with I≥2?I) were 5314, of which the independent reflections were 3106. The complex structure contains a distorted tetrahedron formed by four atoms coordinated to zinc atom, namely two bromide atoms and two nitrogen atoms. The two ZnBr bond lengths within one molecule, 2.3763(6) and 2.4002(5)? respectively, are not equal; and so are the two ZnN bond lengths, which are 2.031(2) and 2.044(2)?respectively. The calculation results using PM3 method through MOPAC software package in Chem 3D show that its first molecular hyperpolarizability b value is 5.210-30esu, which is comparable with that of p-nitroaniline. No bulk SHG effect has been detected due to the centrosymmetric space group.展开更多
A new dinuclear complex [Zn(dpa)(bipy)(H2O)]2 (dpa = 2,2'-diphenic acid, bipy = 2,2'-bipyridine) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, fluorescence s...A new dinuclear complex [Zn(dpa)(bipy)(H2O)]2 (dpa = 2,2'-diphenic acid, bipy = 2,2'-bipyridine) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, fluorescence spectrum and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/c with a = 10.960(2), b = 9.4841(18), c = 20.599(4), β = 104.452(3)o, V = 2073.4(7)3, C48H36N4O10Zn2, Mr = 959.55, Dc = 1.537 g/cm3, μ(MoKα) = 1.225 mm-1, F(000) = 984, Z = 2, the final R = 0.0364 and wR = 0.0843 for 2788 observed reflections (I 〉 2σ(I)). In the crystal structure, the zinc atom is five-coordinated with two carboxylate oxygen atoms from different dpas, one coordinated water molecule and two nitrogen atoms from bipy ligands, showing a slightly distorted triangular bipyramidal geometry. Furthermore, it exhibits a zero-dimensional network structure with a sixteen-membered ring and shows yellow photoluminescent property at room temperature.展开更多
The novel complex [Zn2(Mba)3(Phen)2EtOH)]·ClO4 (Hrnba = methoxybenzoic acid, Phen = 1,10-phenanthroline, EtOH = ethanol) was synthesized by hydrothermal reactions, and its structure was determined by X-ray...The novel complex [Zn2(Mba)3(Phen)2EtOH)]·ClO4 (Hrnba = methoxybenzoic acid, Phen = 1,10-phenanthroline, EtOH = ethanol) was synthesized by hydrothermal reactions, and its structure was determined by X-ray diffraction. The crystal belongs to the triclinic system, space group Pi with a = 1.15362(1), b = 1.3655(3), c = 1.61451(1) nm, α= 72.842(2), β = 83.259(3), y = 72.083(2)°, V = 2.3112(6) nm3, Z = 2,μ(MoKa) = 11.71 cm-1, F(000) = 1120, R = 0.0552 and wR = 0.1157 (I 〉 2σ(I)). The two centric zinc(H) ions in the complex locate in a distorted octahedral coordination geometry and a distorted trigonal bipyramid coordination geometry, respectively. Two bridging bidentate carboxyl groups and a μ2-O carboxyl group from three methoxybenzoic acids act as the bridge to link two Zn(Ⅱ) ions. The asymmetric units are connected by π-π packing interactions between aromatic rings to form a three-dimensional supramolecular network. The experimental results show a good fluorescence property for the complex.展开更多
[Zn(L)(CH3OH)3](H2L = N-(1-phenyl-3-methyl-4-propenylidene-5-pyrazolone)-salicylidene hydrazide) has been synthesized by the reaction of zinc nitrate and ligand H2 L. The complex crystallizes in orthorhombic s...[Zn(L)(CH3OH)3](H2L = N-(1-phenyl-3-methyl-4-propenylidene-5-pyrazolone)-salicylidene hydrazide) has been synthesized by the reaction of zinc nitrate and ligand H2 L. The complex crystallizes in orthorhombic system, space group Pbca with a = 5.888(15), b = 14.564(14), c = 22.20(2) , V = 5137(8) 3, Z = 8 and F(000) = 2184. The ligand serves as a negative bivalent tridentate chelating agent to coordinate with the central zinc(II) atom. DNA-binding was studied by UV-Vis spectral analysis and ethidium bromide(EB) displacement experiments. The results showed that the DNA-binding constant of the complex is 5.1×104 M–1. Antitumor activity of [Zn(L)(CH3OH)3] and the ligand have been investigated by MTT assay, which indicated that the complex has better cytotoxicity to Eca-109 and He La than free ligand.展开更多
The title complex, Zn(C24H13NO)2Cl21, has been synthesized by the reaction of zinc chloride with Schiff base ligand N-salicylidene-p-toluidine and its structure was determined by single-crystal X-ray diffraction. Th...The title complex, Zn(C24H13NO)2Cl21, has been synthesized by the reaction of zinc chloride with Schiff base ligand N-salicylidene-p-toluidine and its structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group Cc with a = 14.896(3), b = 12.506(2), c = 15.352(3) A,β = 114.711 (4)°, V = 2598.0(8) A^3, C28H26ZnCl2N2O2, Mr = 558.80, Z = 4, Dc = 1 .429 g/cm^3,μ = 1.179 mm^-1, Flack parameter = 0.027(19), F(000) = 1152, R = 0.0709 and wR = 0.1041 for 3117 observed reflections (Ⅰ 〉 2σ(Ⅰ)). In complex 1, the center Zn ion is four-coordinated by two O atoms from two Schiff base ligands and two Cl atoms in a distorted tetrahedral geometry. Additionally, the thermal decomposition of complex 1 as well as its kinetic mechanisms and equations is studied under the non-isothermal integral and differential methods in air by TG-DTG curves.展开更多
A new complex [Pb(phen)2(4-NBA)]2·2(NO3)·H2O(phen = 1,10-phenanthroline,4-NBA = 4-nitrobenzoate) has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction,el...A new complex [Pb(phen)2(4-NBA)]2·2(NO3)·H2O(phen = 1,10-phenanthroline,4-NBA = 4-nitrobenzoate) has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction,elemental analyses and IR spectroscopy.The complex crystallizes in monoclinic,space group P21/c with a = 13.416(3),b = 14.065(3),c = 16.845(3)(A°) ,β = 110.55(3)o,V = 2976.5(10)(A°)^3,Z = 2,Dc = 1.796 g/cm^3,F(000) = 1564,GOOF = 0.962,the final R = 0.0686 and wR = 0.1746.The crystal structure shows that the lead ion is coordinated with two carboxylate O atoms from the 4-NBA anion,and four N atoms from two phen molecules,forming a slightly distorted pentagonalbipyramidal coordination geometry.It is further extended by various supramo-lecular interactions to form a three-dimensional supramolecular network.The TG analysis result shows that this complex begins decomposing at 30 ℃ and decompounding completely at 733 ℃.展开更多
The complex Zn(Mept) 2 (Mept=Bis(3-methyl-oxopyridine-2-thionato)) was obtained by the reaction of MeHpt with ZnSO 4 in ethanol. A single crystal X-ray study shows that the complex bis(3-Me-oxopyridine-2-thionato)zi...The complex Zn(Mept) 2 (Mept=Bis(3-methyl-oxopyridine-2-thionato)) was obtained by the reaction of MeHpt with ZnSO 4 in ethanol. A single crystal X-ray study shows that the complex bis(3-Me-oxopyridine-2-thionato)zinc(II) (Zn 2C 24 H 24 N 4O 4S 4) is a dimer. The oxygen and sulfur atoms from Mept ligand coordinates to a zinc atom forming (3-Me-oxopyridine-2-thionato)zinc(II) monomer, and every two monomeric units are linked centrosymmetrically by two oxygen bridges. The compound Zn(Mept) 2 belongs to the monoclinic system with space group P2 1/c, a=7.7627(9), b = 10.3335(7), c=17.4528(13) , β=99.134(9)°, V=1382.2(2) 3, Z=2, M r=691.46, D c=1.661 g/cm 3, μ=2.076 mm -1 , F(000)=704, R=0\^0463, R w=0.0747 for 3378 reflections with I>2σ(I). The coordination geometry about each Zn(II) ion is a distorted trigonal bipyramid. The Zn atom is coordinated by two sulfur atoms (Zn(1)-S(1) 2.307(1); Zn(1)-S(2) 2.295(2)) and one oxygen atom (Zn-O(2A) 2.126(3)) in the equatorial plane, while the two oxygen atoms of Mept ligands (Zn(1)-O(1) 2\^050(3), Zn(1)-O(2) 2\^172(3)) occupy the axial positions with O(1)-Zn(1)-O(2) 177\^2(1)°.展开更多
基金The project was supported by the Education Office of Jilin Province (No. 0047)
文摘A metal-organic coordination polymer [ZnE.s(phen)(BDC)2(OH)]2 (phen = 1,10- phenanthroline, BDC = benzene-1,4-dicarboxylic acid) 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The complex crystallizes in the triclinic system, space group PI with a = 11.199(2), b = 11.593(2), c = 11.865(3)/A, α= 99.330(1), β = 111.506(1), γ = 104.804(1)^o, V= 1328.4(5)A^3, Dc= 1.722 g/cm^3, Z = 1, Mr = 1377.82, F(000) = 692,μ(MoKa) = 2.306 mm^-1, S = 1.093, R= 0.0281 and wR = 0.0756 for 4179 observed reflections (I 〉 2σ(/)). The coordination polyhedron around Zn(II) can be described as a tetrahedron, trigonal bipyramid and octahedron. It is worth noting that the crystal structure of 1 is composed of tetranuclear zinc clusters linked by {ZnO6} units.
基金This work was supported by the National Natural Science Foundation of China (No. 20401008)
文摘A one-dimensional (1D) supramolecular rare earth complex [Nd(NO3)2L2-(C3H6O)][NdL(NO3)4]} (L=N-(6-(4-methylpyridinyl))ketoacetamide) has been prepared and characterized by elemental analysis, IR and electronic spectroscopy, and single-crystal X-ray diffraction. The crystal crystallizes in the triclinic system, space group P1^- with a=0.9146(6), b=1.2581(8), c=2.2316(14) nm, α=99.352(10),β=97.209(9), γ=103.935(9)°, V=2.422(3) nm3, Dc=1.776 g/cm^3, C33H42N12Nd2O25, Mr=1295.27, Z=2, F(000)=1288, μ=2.217 mm-1, R=0.0508and wR=0.1046 for 5173 observed reflections (I 〉 2σ(I)). In the structure of the title complex,one-dimensional supramolecular double-chains are formed by intermolecular hydrogen bonding interactions.
基金supported by the Natural Science Foundation of Henan Province (No.0511022600)the Department of Education of Henan Province (No.200510482006)
文摘A new complex, [Cd(Himc)2(H2O)2] 1, obtained from imidazole-4-carboxylatic acid (H2imc) and Cd(ClO4)2·6H2O, has been synthesized. The crystal structure was determined by X-ray diffraction. The title compound crystallizes in the orthorhombic system, space group Pccn, with a = 7.4886(11), b = 11.9667(18), c = 13.550(2) A, V= 1214.3(3) A3, Z = 4, Mr= 370.60, Dc = 2.027 mg/m3, F(000) = 728,μ (MoKa) = 1.829 mm^-1, the final R = 0.0243 and wR = 0.0591 for 1150 unique reflections with I 〉 2σ(I). The cadmium(II) center in the title complex is coordinated with two oxygen and two nitrogen atoms from two bidentate chelated imidazole-4-carboxlate ligands together with two water molecules, giving a distorted octahedral coordination geometry. A one-dimensional hydrogen bonding chain is formed via intermolecular O-H...O hydrogen bonds, and such adjacent chains are further stacked through intermolecular π-π and hydrogen bonding interactions to form a 3D supramolecular framework. Complex 1 exhibits a fluorescent emission band at 290 nm (λex = 236 nm) in the solid state.
基金This work was supported by the Outstanding Young Foundation of Henan Province
文摘The supramolecular compound [(AgI3)(4-HBPFA)2(H2O)] (Mr = 1361.11) was synthesized via the reaction of 1,1?-bis[(4-pyridylamino)carbonyl]ferrocene (4-BPFA) with AgI, and structurally characterized by single-crystal X-ray diffraction analysis. Crystal data: monoclinic, space group C2/c, a = 1.6783(3), b = 10.646(2), c = 2.5419(5) ?, β = 93.66(3)o, V = 4532.2(16) ?3, Z = 4, Dc = 1.995 g/cm3, F(000) = 2632 and μ = 3.158 mm-1. The compound consists of (4- HBPFA)+, (AgI3)2- and H2O. In the structure, the adjacent (4-HBPFA)+ are linked by C–H…O and N–H…N hydrogen bonds into 1-D chains which are further linked by C–H…I and N–H…I hydrogen bonds as well as intermolecular π-π stacking interactions to form a 3-D supramolecular compound.
文摘A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray diffraction. The crystal crystallizes in the triclinic system, molecular formula ZnC12H16N2O8, Mr=381.64, space group P with a = 6.338(1), b =6.919(1), c=9.277(1), α=96.28(1), β=104.91(1), γ=112.85(1)°, V=352.12(9)?3, Z=1, Dc=1.80g?cm-3 and F(000)=196, μ =1.791mm-1. The crystal structure was solved by direct methods for final R=0.0204 and Rw=0.0542 for 1258 observed reflections with [Fo>4σ(Fo)]. The crystal structure reveals that zinc ion is trans-octahedral with two pyridyl nitrogens and two aque oxygens at the equational positions and two aqua oxygens at the axial positions. The complex forms a three-dimensional network through intermolecular hydrogen bonds.
文摘The title complex is a new binuclear Zn(Ⅱ) with chelate ligand of Schiff base containing S and N atom.The complex crystallizes in the orthorhombicspace group Pccn,with a=12.338(9),b=16.666(8),c=17.503(6),V=3599(6),Mr=723.52,Z=4,Dx=1.34 g/cm3,μ=15.22 cm-1,F(000)=1488.The structure was solved by direct methods and the final R=0.078.The crystal consists of discrete molecules with symmetric center at the center of the fourmembered ring consisting of two Zn atoms and two O atoms.
基金This project was supported by the Foundation of Science Committee of Jiangsu Province (BK2005045)Natural Science Foundation of Jiangsu Provincial Educational Commission (02KJD150014, 03KJD150031)the Foundation of Science Committee of Huaihai Institute of Technology (Z2006005)
文摘The title complex [bis(dien)zinc(Ⅱ)] zinc(Ⅱ) tetrachloride was synthesized and characterized by X-ray single-crystal diffraction, elemental analysis, electric conductivity, IR and electronic spectra. The compound crystallizes in the tetragonal system, space group I^-4 with a = 10.250(3), b = 10.250(3), c = 9.054(2) V = 951.2(5)A^3, Mr = 486.95, Z = 2, F(000) = 504, Dc = 1.700 g/cm&3,μ = 3.083 mm^-1, λ. = 0.71073A, the final R = 0.0226 and wR = 0.0642. The symmetric crystal smacture consists of a zinc complex cation [Zn(dien)2]^2+ and a zinc tetrachloride aniOn [ZnC14]^2-, forming a three, dimensional framework through intrmnolecular and intermolecular hydrogen bonds.
文摘Reaction of Zn(ClO4)2·6H2O with septadentate 2,6-bis[bis(2-benzimidazolylme-thyl)amino methyl]-4-methylphenol (Hbbap) and sodium isonicotinate yielded a dinuclear zinc complex[Zn2(bbap) (Iso) (Hiso)] (ClO4)2·[Zn2 (bbap) (Iso) (H2O)] (ClO4)2·4H2O(1a·1b·4H2O). Hiso isisonicotinic acid and Iso is isonicotinate anion. The structure has been established by X-raycrystallography and shows that the two zinc ions are bridged by the phenoxy unit of bbap- ligand,and the presence of unusual monodentate O-coordination of carboxylate group from isonicotinicacid. The coordination geometry around the zinc ion is approximately trigonal bipyramidal.
基金This work was supported by the Natural Science Foundation of Guangxi Province (No. 0229004)
文摘Two new ternary complexes [Zη(3-aba)2(phen)]·2.58H2O 1 and {[Cd(3-aba)- (phen)2]·(NO3)·(1.5H2O) }n 2 (3-aba = 3-aminobenzoic acid anion, phen = 1,10-phenanthroline) were synthesized and characterized by elemental analysis, IR, UV spectrum and X-ray diffraction. Complex 1 crystallizes in the rhombohedral system, space group R3 with a = 3.5733(3), b = 3.5733(3), c = 1.1231(2) nm; V= 12.419(3) nm^3, C26H25.17NaO6.58Zn, Mr= 564.37, Z= 18, F(000) = 5253, μ= 0.937 mm^-1, Dc = 1.358 g/cm^3, R = 0.0668 and wR = 0.1690 for 2424 observed reflections (I〉 2σ(I)). Complex 2 belongs to the tetragonal system, space group P4/ncc with a = 2.88451(10), b = 2.88451(10), c = 1.55571(11) nm, V= 12.9441(11) nm^3, C31H25CdN6O6.50, Mr = 697.97, Z = 16, F(000) = 5648,μ=0.727 mm^-1, Dc= 1.433 g/cm^3, R = 0.0607 and wR = 0.1742 for 3468 observed reflections (I 〉 2σ(I)). Complex 1 displays a mononuclear structure. The carboxylate group of 3-aminobenzoic acid anion coordinates to Zn(Ⅱ) in a chelating bidentate mode, and the nitrogen atom of the ligand does not involve in coordination. Complex 2 exhibits a one-dimensional chain structure with 3-aminobenzoic acid anion coordinating to Cd(Ⅱ) in a μ2-bridging mode through its nitrogen atom and one of its oxygen atoms.
基金Natural Science Foundation and Education Department Foundation of Guangxi Province
文摘The title zinc(Ⅱ) complex salt [Zn(H2O)6](ClO4)2-(PNOS)4, where PNOS is derived from picolinaldehyde N-oxide with semicarbazone, has been prepared and structurally characterized by X-ray single-crystal analysis. It crystallizes in triclinic, space group PI with a = 7.529(3), b = 10.206(4), c = 14.678(6)A, a = 86.293(6), β= 87.686(7), γ= 81.382(6)°, C28H44Cl2N16O22Zn, Mr = 1093.06, V = 1112.3(8) ,A^3 Z = 1, Dc = 1.632 g/cm^3, S = 1.089, μ(MoKa) = 0.773 mm^-1, F(000) = 564, the final R = 0.0438 and wR = 0.1076 for 3888 independent reflections with Rint = 0.0224. The crystal structure possesses a [Zn(H2O)6]^2+ cation, two ClO4^- anions and four PNOSs. In the crystal structure, Zn^2+ cation is located at the symcenter and coordinated by six water molecules. In [Zn(H2O)6]^2+, an elongate octahedral complex cation, the average Zn-O bond length is 2.087(2) A. There exist a lot of H bonds in the structure, linking the cation [Zn(H2O)6]^2+, anion ClO4^- and PNOS to form a 3D network.
基金supported by the Science and Technology Research Projects of the Education Department of Jilin Province (No. 2011. 459)
文摘A new metal-organic complex Zn2(cbba)4(phen)2 (Hcbba = 2-(4'chlorine-ben- zoyl)benzoic acid, phen = 1,10-phenanthroline) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, fluorescence spectrum and single-crystal X-ray diffraction. The compound crystallizes in orthorhombic, space group Pbcn with a = 12.0821(II), b = 18.3140(17), c = 30.961(3) A, V= 6850.7(11) A^3, C80H48C14N4O12Zn2, Mr= 1529.76, Dc = 1.483 g/cm^3,μ(MoKa) = 0.925 mm^-1, F(000) = 3120, Z = 4, the final R = 0.0559 and wR = 0.1146 for 3963 observed reflections (I〉 2σ(I)). In the crystal structure, the zinc atom is five-coordinated with three carboxylate oxygen atoms from three different cbba ligands and two nitrogen atoms from the phen ligand, showing a distorted square-pyramidal geometry. Furthermore, it exhibits a 3D supramolecular network through π-π interactions and shows yellow photoluminescent property at room temperature.
文摘Two new zinc(Ⅱ) complexes, [Zn2L2Ch].2[ZnL(CH3OH)Cl2] 1 and [ZnL2(NO3)2] 2, were synthesized by reacting ZnX2.nH2O (X = Cl^-, NO3^-) and a Schiff base ligand 2-[(4-methylphenylimino)methyl]-6-methoxyphenol (C15HIsNO2, L) which was obtained by the condensation of o-vanillin (2-hydroxy-3-methoxybenzaldehyde) with p-toluidine. Both 1 and 2 were characterized by single-crystal X-ray diffraction technique, elemental analysis, molar conductance, FT-IR, UV-Vis, IH-NMR spectra and thermogravimetrie analysis. The Schiff base ligand and its zinc(Ⅱ) complexes have been tested in vitro to evaluate their antibacterial activity against bacteria, viz., Escherichia Coli, Staphylococcus aureus and Bacillus Subtilis. The results show that these complexes have higher activity than the corresponding free Schiff base ligand against the same bacteria.
基金This work was financed by the National Key Fundamental Research Program of China.
文摘A new zinc(II) complex, Zn(2-NH2py)2Br2 (py=pyridine), has been synthesized, and its molecular structure has been confirmed by IR, elemental analysis and -ray crystal structure analysis. Its space group is P21/n with Mr=413.43 (C10H12Br2N4Zn), a=7.435(2), b=12.865(3), c=14.186(4)? b=94.08(2)? V=1353.5(5) 3, Z=4, Dc=2.029 g/cm3, F(000)=328, ?2.378mm-1, R=0.0283, wR=0.0501. The total observed reflections with I≥2?I) were 5314, of which the independent reflections were 3106. The complex structure contains a distorted tetrahedron formed by four atoms coordinated to zinc atom, namely two bromide atoms and two nitrogen atoms. The two ZnBr bond lengths within one molecule, 2.3763(6) and 2.4002(5)? respectively, are not equal; and so are the two ZnN bond lengths, which are 2.031(2) and 2.044(2)?respectively. The calculation results using PM3 method through MOPAC software package in Chem 3D show that its first molecular hyperpolarizability b value is 5.210-30esu, which is comparable with that of p-nitroaniline. No bulk SHG effect has been detected due to the centrosymmetric space group.
基金Supported by the Science and Technology Research Projects of the Education Office of Jilin Province (No. 2009. 272)
文摘A new dinuclear complex [Zn(dpa)(bipy)(H2O)]2 (dpa = 2,2'-diphenic acid, bipy = 2,2'-bipyridine) 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR, fluorescence spectrum and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/c with a = 10.960(2), b = 9.4841(18), c = 20.599(4), β = 104.452(3)o, V = 2073.4(7)3, C48H36N4O10Zn2, Mr = 959.55, Dc = 1.537 g/cm3, μ(MoKα) = 1.225 mm-1, F(000) = 984, Z = 2, the final R = 0.0364 and wR = 0.0843 for 2788 observed reflections (I 〉 2σ(I)). In the crystal structure, the zinc atom is five-coordinated with two carboxylate oxygen atoms from different dpas, one coordinated water molecule and two nitrogen atoms from bipy ligands, showing a slightly distorted triangular bipyramidal geometry. Furthermore, it exhibits a zero-dimensional network structure with a sixteen-membered ring and shows yellow photoluminescent property at room temperature.
基金Supported by the Scientific and Technological Program of Hunan Provincial Department of Science and Technology (No. 2010JT4041)Hunan Provincial Department of Education (No. 11C0186)Hunan Provincial Key Discipline Construction and Hunan College Key Laboratory of Functional Organometallic Materials
文摘The novel complex [Zn2(Mba)3(Phen)2EtOH)]·ClO4 (Hrnba = methoxybenzoic acid, Phen = 1,10-phenanthroline, EtOH = ethanol) was synthesized by hydrothermal reactions, and its structure was determined by X-ray diffraction. The crystal belongs to the triclinic system, space group Pi with a = 1.15362(1), b = 1.3655(3), c = 1.61451(1) nm, α= 72.842(2), β = 83.259(3), y = 72.083(2)°, V = 2.3112(6) nm3, Z = 2,μ(MoKa) = 11.71 cm-1, F(000) = 1120, R = 0.0552 and wR = 0.1157 (I 〉 2σ(I)). The two centric zinc(H) ions in the complex locate in a distorted octahedral coordination geometry and a distorted trigonal bipyramid coordination geometry, respectively. Two bridging bidentate carboxyl groups and a μ2-O carboxyl group from three methoxybenzoic acids act as the bridge to link two Zn(Ⅱ) ions. The asymmetric units are connected by π-π packing interactions between aromatic rings to form a three-dimensional supramolecular network. The experimental results show a good fluorescence property for the complex.
基金Supported by the National Science Foundation of China(No.21161019,21301146)Natural Science Fund for Distinguished Young Scholars of Xinjiang Uygur Autonomous(No.2013711008)Technological Innovation Youth Training Project of Xinjiang Autonomous(No.2013721017)
文摘[Zn(L)(CH3OH)3](H2L = N-(1-phenyl-3-methyl-4-propenylidene-5-pyrazolone)-salicylidene hydrazide) has been synthesized by the reaction of zinc nitrate and ligand H2 L. The complex crystallizes in orthorhombic system, space group Pbca with a = 5.888(15), b = 14.564(14), c = 22.20(2) , V = 5137(8) 3, Z = 8 and F(000) = 2184. The ligand serves as a negative bivalent tridentate chelating agent to coordinate with the central zinc(II) atom. DNA-binding was studied by UV-Vis spectral analysis and ethidium bromide(EB) displacement experiments. The results showed that the DNA-binding constant of the complex is 5.1×104 M–1. Antitumor activity of [Zn(L)(CH3OH)3] and the ligand have been investigated by MTT assay, which indicated that the complex has better cytotoxicity to Eca-109 and He La than free ligand.
文摘The title complex, Zn(C24H13NO)2Cl21, has been synthesized by the reaction of zinc chloride with Schiff base ligand N-salicylidene-p-toluidine and its structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group Cc with a = 14.896(3), b = 12.506(2), c = 15.352(3) A,β = 114.711 (4)°, V = 2598.0(8) A^3, C28H26ZnCl2N2O2, Mr = 558.80, Z = 4, Dc = 1 .429 g/cm^3,μ = 1.179 mm^-1, Flack parameter = 0.027(19), F(000) = 1152, R = 0.0709 and wR = 0.1041 for 3117 observed reflections (Ⅰ 〉 2σ(Ⅰ)). In complex 1, the center Zn ion is four-coordinated by two O atoms from two Schiff base ligands and two Cl atoms in a distorted tetrahedral geometry. Additionally, the thermal decomposition of complex 1 as well as its kinetic mechanisms and equations is studied under the non-isothermal integral and differential methods in air by TG-DTG curves.
基金supported by the National Natural Science Foundation of China (No. 20947003)China Postdoctoral Science Foundation (No. 20090461066)
文摘A new complex [Pb(phen)2(4-NBA)]2·2(NO3)·H2O(phen = 1,10-phenanthroline,4-NBA = 4-nitrobenzoate) has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction,elemental analyses and IR spectroscopy.The complex crystallizes in monoclinic,space group P21/c with a = 13.416(3),b = 14.065(3),c = 16.845(3)(A°) ,β = 110.55(3)o,V = 2976.5(10)(A°)^3,Z = 2,Dc = 1.796 g/cm^3,F(000) = 1564,GOOF = 0.962,the final R = 0.0686 and wR = 0.1746.The crystal structure shows that the lead ion is coordinated with two carboxylate O atoms from the 4-NBA anion,and four N atoms from two phen molecules,forming a slightly distorted pentagonalbipyramidal coordination geometry.It is further extended by various supramo-lecular interactions to form a three-dimensional supramolecular network.The TG analysis result shows that this complex begins decomposing at 30 ℃ and decompounding completely at 733 ℃.
文摘The complex Zn(Mept) 2 (Mept=Bis(3-methyl-oxopyridine-2-thionato)) was obtained by the reaction of MeHpt with ZnSO 4 in ethanol. A single crystal X-ray study shows that the complex bis(3-Me-oxopyridine-2-thionato)zinc(II) (Zn 2C 24 H 24 N 4O 4S 4) is a dimer. The oxygen and sulfur atoms from Mept ligand coordinates to a zinc atom forming (3-Me-oxopyridine-2-thionato)zinc(II) monomer, and every two monomeric units are linked centrosymmetrically by two oxygen bridges. The compound Zn(Mept) 2 belongs to the monoclinic system with space group P2 1/c, a=7.7627(9), b = 10.3335(7), c=17.4528(13) , β=99.134(9)°, V=1382.2(2) 3, Z=2, M r=691.46, D c=1.661 g/cm 3, μ=2.076 mm -1 , F(000)=704, R=0\^0463, R w=0.0747 for 3378 reflections with I>2σ(I). The coordination geometry about each Zn(II) ion is a distorted trigonal bipyramid. The Zn atom is coordinated by two sulfur atoms (Zn(1)-S(1) 2.307(1); Zn(1)-S(2) 2.295(2)) and one oxygen atom (Zn-O(2A) 2.126(3)) in the equatorial plane, while the two oxygen atoms of Mept ligands (Zn(1)-O(1) 2\^050(3), Zn(1)-O(2) 2\^172(3)) occupy the axial positions with O(1)-Zn(1)-O(2) 177\^2(1)°.