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A New Zn(Ⅱ) Coordination Polymer Constructed from 4-(1H-pyrazol-3-yl)pyridine as Fluorescent Sensor for Fe^(3+) 被引量:1
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作者 刘娜 邢广恩 +1 位作者 黄笑笑 郭靖 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第4期660-666,共7页
A new Zn(Ⅱ) coordination polymer, [Zn(4-PP)(1,4-BDC)?(H_2O)]_n(1, 4-PP = 4-(1 H-pyrazol-3-yl)pyridine, 1,4-H_2BDC = 1,4-benzenedicarboxylic acid), has been synthesized and structurally characterized by single-crystal... A new Zn(Ⅱ) coordination polymer, [Zn(4-PP)(1,4-BDC)?(H_2O)]_n(1, 4-PP = 4-(1 H-pyrazol-3-yl)pyridine, 1,4-H_2BDC = 1,4-benzenedicarboxylic acid), has been synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis, IR spectra, XRPD and TG. Structural analysis reveals that Zn(Ⅱ) ions are bridged by COO-from 1,4-BDC^(2-)to form a binuclear structure as the second building units(SBUs). Zn_2 clusters can be clarified as 4-connected nodes, so the framework of 1 can be considered as a 2 D(44?62)-sql sheet. Fluorescence measurements show that 1 has highly selective and sensitive detection of Fe^(3+) in water medium. 展开更多
关键词 4-(1h-pyrazol-3-yl)pyridine crystal structure LUMINESCENCE sensor zinc complex
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The First Example of a Supramolecular Structure Containing [2-(1H-Pyrazol-3-yl)-pyridine] Complex and both α-and β-Octamolybdates 被引量:1
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作者 赵文秀 董顺福 +2 位作者 张伟萍 彭军 庞海军 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第8期1013-1017,共5页
The title compound, [Ni(C8N3H7)3]4[Mo8O26]2·6H2O 1, has been synthesized from the reaction of 2-(1H-pyrazol-3-yl)-pyridine (L) with (NH4)2MoO4·2H2O and NiCl2·6H2O. Elemental analysis, IR, UV spe... The title compound, [Ni(C8N3H7)3]4[Mo8O26]2·6H2O 1, has been synthesized from the reaction of 2-(1H-pyrazol-3-yl)-pyridine (L) with (NH4)2MoO4·2H2O and NiCl2·6H2O. Elemental analysis, IR, UV spectra and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure of the compound. Crystal data: C96H96Mo16N36Ni4O58, Mr = 4451.97, monoclinic system, space group P21/n, a = 20.846(5), b = 14.825(5), c = 23.122(5) A ,β= 91.594(5)°, V = 7143(3)A^3, Z = 2, F(000) = 4344, Dc = 2.070 g/cm^3,μ = 1.968 mm^-1, R = 0.0452 and wR = 0.1056 for 17102 independent reflections (Rint = 0.0442) and 11074 observed reflections (I 〉 2σ(I)). Structural analysis indicates that two kinds of octamolybdates ([α-Mo8026]^4- and [β-Mo8026]^4-) co-exist in the compound. This is the first example of a supramolecular structure containing L complex as well as both α- and β-octamolybdate clusters. 展开更多
关键词 crystal structure OCTAMOLYBDATE 2-(1h-pyrazol-3-yl)-pyridine supramolecularnetwork nickel(II complex
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Aromatic Multicarboxylate Ligands Tuned One-and Three-dimensional Zn(Ⅱ) Coordination Polymers Based on 3-(1H-pyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole
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作者 王玉芳 王利亚 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第8期1329-1336,共8页
Two aromatic multicarboxylate ligands tuned Zn(Ⅱ) coordination polymers, namely, {[Zn0.5(H2L)(tp)0.5(H2O)]H2O}n(1) and {[Zn2(HL)(btc)(H2O)]H2O}n(2)(H2L = 3-(1 Hpyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole, H2tp = te... Two aromatic multicarboxylate ligands tuned Zn(Ⅱ) coordination polymers, namely, {[Zn0.5(H2L)(tp)0.5(H2O)]H2O}n(1) and {[Zn2(HL)(btc)(H2O)]H2O}n(2)(H2L = 3-(1 Hpyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole, H2tp = terephthalic acid;H3 btc = 1,3,5-benzenetricarboxylic) have been synthesized. Their structures were characterized by single-crystal X-ray diffraction analysis, elemental analyses and infrared spectra. Compound 1 possesses a one-dimensional chain structure and is finally extended into a three-dimensional supramolecular architecture though hydrogen bonding interactions. Compound 2 shows a three-dimensional framework. Meanwhile, compounds 1 and 2 exhibit luminescent emission in the solid, and can be investigated as potential luminescent materials. 展开更多
关键词 coordination polymer 3-(1h-pyrazol-4-yl)-5-(pyridin-3-yl)-1 2 4-triazole AROMATIC multicarboxylate luminescence
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Synthesis and Crystal Structure of Trans-4-[(5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 被引量:4
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作者 孙凤梅 田孟魁 +1 位作者 杨靖华 连照勋 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第7期789-792,共4页
The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl- 1-phenyl-1H-pyrazol-4-yl)methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, Mr = 532.41) has been synthesized and its... The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl- 1-phenyl-1H-pyrazol-4-yl)methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, Mr = 532.41) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1- with a = 8.9438(4), b = 11.6065(5), c = 14.2215(6)A, α = 112.566(1), β = 92.324(2), γ = 102.91(1)°, V= 1315.65(10) A^3, Z = 2, Dc = 1.344 g/cm^3,μ(MoKa) = 0.282 mm^-1, λ = 0.71073 A, F(000) = 552, the final R = 0.0587 and wR = 0.1578 for 5071 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the product is a thermodynamically stable trans isomer. Intra- and intermolecular C( 12)-H(12)…O(1) and C(28)-H(28)...O(1)# 1 hydrogen bonds were observed in the title compound. 展开更多
关键词 trans-4-[ 5-(2 4-dichlorophenoxy)-3-methyl- 1-phenyl- 1h-pyrazol-4-yl)methylene amino]-1 5-dimethyl-2-phenyl-1 2-dihydropyrazol-3-one synthesis crystal structure
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Synthesis and Crystal Structure of Tri(4-(3-hydroxy2-ethyl-4-pyridinone-1-yl)-aniline Condensation Salicylaldehydato) Monohydratotricopper(II)Dimethylformamide Monohydrate Solvate 被引量:2
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作者 LUZai-Sheng NIUDe-Zhong +1 位作者 TUShu-Jiang CHENJiu-Tong 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2003年第6期681-686,共6页
The title complex [Cu3L3(H2O)]DMFH2O (H2L = 4-(3-hydroxy-2-ethyl-4- pyridinone-1-yl)-aniline condensation salicylaldehyde) was obtained. The single-crystal X-ray study shows that it is a trinuclear compound [Cu3(C20H1... The title complex [Cu3L3(H2O)]DMFH2O (H2L = 4-(3-hydroxy-2-ethyl-4- pyridinone-1-yl)-aniline condensation salicylaldehyde) was obtained. The single-crystal X-ray study shows that it is a trinuclear compound [Cu3(C20H15N2O3)3(H2O)]DMFH2O. The coordi- nation sphere about each copper ion in the complex consists of two oxygen atoms from hydroxylpyridinone moiety of one ligand and one oxygen and one nitrogen atoms from salicyladehyde Schiff-base moiety of another ligand arranged in a slightly distorted square planar geometry. Among the three copper ions, one (Cu(2)) is coordinated by the other oxygen atom of water molecule on the fifth coordinate position to form a distorted square pyramid geometry. The crystal is of monoclinic, space group P21/c with a = 12.9202(5), b = 27.197(1), c = 17.0116(7) ? b = 100.588(1), V = 5875.9(4) 3, Z = 4, C63H57N7O12Cu3, Mr = 1294.78, Dc = 1.464 g/cm3, m = 1.146 mm-1, F(000) = 2668, R = 0.0784 and wR = 0.1546 for 6926 observed reflections with I > 2s(I). The differences of coordinate bond lengths are observed between anhydrous and hydrous units: in the former unit, the average bond lengths are 1.978 ?for CuN (azomethine), 1.883 ?for CuO (phenolic) in Schiff-base moiety, 1.959 ?for CuO (keto), and 1.919 ?for CuO (hydroxy) in hydroxypyridinone moiety; while those in the latter are longer with the following corresponding values: 1.985(5), 1.908(5), 1.993(5) and 1.919(4) ? respectively. The Cu(2)O (water) bond length is 2.375(6) ? 展开更多
关键词 copper(II) complex 4-(3-hydroxy-2-ethyl-4-pyridinone-1-yl)-aniline salicylaldehyde Schiff-base crystal structure
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A One-dimensional Cd(Ⅱ)Coordination Polymer Constructed from 1,4-Benzene-dicarboxylic Acid and 3-(2,6-Di(pyrazin-2-yl)pyridin-4-yl)-1H-indole:Synthesis,Structure and Photoluminescence 被引量:2
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作者 谢玲 卢丽萍 朱苗力 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第10期1606-1614,共9页
A new coordination polymer {[Cd(C_(21)H_(14)N_6)(C_8H_4O_4)]·H_2O}_n(1) was synthesized by an elaborate design via the reaction of 3-(2,6-di(pyrazin-2-yl)pyridin-4-yl)-1H-indole(bppi),1,4-benzene-... A new coordination polymer {[Cd(C_(21)H_(14)N_6)(C_8H_4O_4)]·H_2O}_n(1) was synthesized by an elaborate design via the reaction of 3-(2,6-di(pyrazin-2-yl)pyridin-4-yl)-1H-indole(bppi),1,4-benzene-dicarboxylic acid(H2bdc) and cadmium(Ⅱ) nitrate in CH_3OH/H_2O mixed solvents. Complex 1 crystallizes in orthorhombic,space group Ccca with a = 20.012(4),b = 31.881(6),c = 19.808(4) ?,V = 12638(4) ?~3,Z = 16,C_(29)H_(20)CdN_6O_5,M_r = 644.91,D_c = 1.356 g·cm^(-3),μ = 0.735 mm^(-1),F(000) = 5184,GOOF = 1.046,the final R = 0.0405 and wR = 0.1063 for 6870 observed reflections(I 〉 2σ(I)). The Cd(Ⅱ) centre is hepta-coordinated by three N and four O atoms from one bppi terminal ligand and two bdc2– ligands,respectively,displaying a capped trigonal prism geometry. Structure extension gives coordination polymeric chains,in which the bdc2– linkers connect Cd(Ⅱ) cations into a one-dimensional(1D) coordination polymer along the c axis,giving zigzag chains with the Cd···Cd separation of 11.178(1) ?. The adjacent bppi terminal ligands in the chains are anti-periplanar conformation. The three-dimensional(3D) structure is stabilized by π···π stacking and hydrogen-bonding interactions to form a supramolecular self-penetrating network with 1D channels. In 1,there are voids 2999.7 ?~3 with 23.7% of per unit cell volume. Thermal analysis indicates that the framework of 1 is stable until 651 K and the photoluminescence of 1 in the solid shows very weak fluorescence at 382 and 560 nm upon excitation at 310 nm. 展开更多
关键词 1 4-benzenedicarboxylic acid 3-(2 6-di(pyrazin-2-yl)pyridin-4-yl)-1H-indole one-dimensional cadmium(Ⅱ) coordination polymer π···π stacking interactions photoluminescence
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Synthesis, Crystal Structure and Properties of a New Coordination Polymer Constructed with 3-(4-hydroxypyridinium-1-yl)phthalic Acid
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作者 李付安 白素贞 +1 位作者 李兴武 陈权 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第5期701-706,共6页
A new nickel coordination polymer {[Ni(dpa)(bpe)(H2O)]2}n(1) has been hydro-thermally synthesized, and structurally characterized by UV spectroscopy, elemental analyses and single-crystal X-ray diffraction(H2... A new nickel coordination polymer {[Ni(dpa)(bpe)(H2O)]2}n(1) has been hydro-thermally synthesized, and structurally characterized by UV spectroscopy, elemental analyses and single-crystal X-ray diffraction(H2dpa=3-(4-hydroxypyridinium-1-yl) phthalic acid, bpe=μ-1,2-di(4-pyridyl) ethylene). It crystallizes in the triclinic system, space group P1 with a=8.779(2), b=10.909(3), c=12.739(3), α=72.45(2), β=75.13(2), γ=86.47(2)°, V=1124.1(5) 3, Z=2, Mr=516.14, Dc=1.525 g/cm3, μ=0.912 mm-1, Rint=0.0532, F(000)=532, the final R=0.0523 and wR=0.1089 for 3949 observed reflections(I〉2σ(I)). The coordination around the Ni center is a distorted octahedron coordination geometry involving two protonated H2dpa ligands, two bpe ligands, and one coordinated H2O molecule. The dpa2- anion, as a bridging ligand, connects two Ni centers to form binuclear units, which are linked together by the bpe ligands to form two-dimensional layers, and the interlayer hydrogen bonding further extends the 2D sheet into a 3D supramolecular framework. 展开更多
关键词 3-(4-hydroxypyridinium-1-yl) phthalic acid POLYMER binuclear nickel unit
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Synthesis, Reactions and Characterization of 1,1’-(1,4-Phenylenebis(3-amino-6-methyl-1H-pyrazolo[3,4-b]pyridine-4,5-diyl))bis(ethan-1-one)
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作者 Ahmed A. M. Elreedy Hameed M. Alkubaisi Fawzy A. Attaby 《International Journal of Organic Chemistry》 CAS 2016年第1期65-76,共12页
Reaction of 4,4’-(1,4-phenylene)bis(5-acetyl-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile) (1) with methyl iodide afforded the 4,4’-(1,4-phenylene)bis(5-acetyl-6-methyl-2-(methylthio)nicotinonitrile) (2). Th... Reaction of 4,4’-(1,4-phenylene)bis(5-acetyl-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile) (1) with methyl iodide afforded the 4,4’-(1,4-phenylene)bis(5-acetyl-6-methyl-2-(methylthio)nicotinonitrile) (2). The reaction of 2 with hydrazine hydrate followed by diazotization reaction af-forded the 1,1’-(1,4-phenylenebis(3-amino-6-methyl-1H-pyrazolo[3,4-b]pyridine-4,5-diyl))bis(e-than-1-one) (3) and 1,1’-(1,4-phenylenebis(3-(chlorodiazenyl)-6-methyl-1H-pyrazolo[3,4-b]-pyridine-4,5-diyl))bis(ethan-1-one) (4) respectively. On the other hand, reaction of 4 with malononitrile, 2-cyanoethanethioamide, ethyl acetoacetate, acetyl acetone, ethyl benzoylacetate, diethylmalonate, ethyl cyanoacetate and phenacylbromide aiming to build up pyrazolotriazine or pyrazole ring on the ring system of 4. Structures of all newly synthesized heterocyclic compounds in the present study were confirmed by considering the data of IR, 1H NMR, mass spectra as well as that of elemental analyses. 展开更多
关键词 Bis-1 2-dihydropyridine-3-carbonitrile Bis-Nicotinonitrile 1 1-(1 4-Phenyl-enebis(3-(chlorodiazenyl)-6-methyl-1H-pyrazolo[3 4-b]pyri-dine-4 5-diyl))bis(ethan-1-one) Bis-dihydropyrido[2’ 3’:3 4]pyrazolo[5 1-c][1 2 4]triazine-3-carboxylate Bis-1H-pyrazolo[3 4-b]pyridine
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Synthesis, Crystal Structure and Fungicidal Activity of (Z)-3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one O-2-Chlorobenzyl Oxime Nitrate 被引量:2
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作者 叶姣 玄文静 胡艾希 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第9期1265-1268,共4页
The title compound has been synthesized by the reaction of 3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one oxime with 2-chlorobenzyl chloride, and then treated with 65~68% HNO3. Its crystal structure was determin... The title compound has been synthesized by the reaction of 3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one oxime with 2-chlorobenzyl chloride, and then treated with 65~68% HNO3. Its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 14.5481(8), b = 9.3351(5), c = 13.1911(7) , β = 98.9450(10)°, Z = 4, V = 1769.67(17) 3, Mr = 369.81, Dc = 1.388 g/cm3, S = 1.06, μ = 0.247 mm-1, F(000) = 776, the final R = 0.0352 and wR = 0.0960 for 3069 observed reflections (I 2σ(I)). X-ray crystal structure presents the intramolecular N–H…O hydrogen bond. The packing is nearly parallel without π-π stacking interactions between two adjacent phenyl rings and stabilized by Van der Waals force. The preliminary bioassay shows that the title compound possesses fungicidal activity against Gibberella zeae at the dosage of 25 mg/L. 展开更多
关键词 (Z)-3 3-dimethyl-1-(1H-1 2 4-triazol-1-yl)butan-2-one O-2-chlorobenzyl oxime nitrate crystal structure synthesis fungicidal activity
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An efficient synthesis of 2,2-bis(1H-indol-3-yl)-2H-acenaphthen-1-one catalyzed by recyclable solid superacid SO_4^(2-)/TiO_2 under grinding condition 被引量:2
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作者 Guo Liang Feng 《Chinese Chemical Letters》 SCIE CAS CSCD 2010年第9期1057-1061,共5页
An efficient synthesis of symmetrical 2,2-bis(1H-indol-3-yl)-2H-acenaphthen-1-one is achieved via a reaction of acenaphthe-nequinone and indoles catalyzed by solid superacid SO4^2-/TiO2 under solvent-free conditions... An efficient synthesis of symmetrical 2,2-bis(1H-indol-3-yl)-2H-acenaphthen-1-one is achieved via a reaction of acenaphthe-nequinone and indoles catalyzed by solid superacid SO4^2-/TiO2 under solvent-free conditions at room temperature by grinding, which provides an efficient route to the synthesis of symmetrical 2,2-bis(1H-indol-3-yl)-2H-acenaphthen-1-one.This procedure offers several advantages including solvent-free conditions,excellent yields of products,simple work-up as well as reuse of catalysts which makes it a useful and attractive protocol for the synthesis of these compounds. 展开更多
关键词 ACENAPHTHENEQUINONE Indole Solid superacid SO4^2-/TiO2 2 2-Bis(1H-indol-3-yl)-2H-acenaphthen-1-one
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Synthesis and Crystal Structure of Ethyl 3-(4-Chlorophenyl)-3,4-dihydro-6-methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate 被引量:2
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作者 胡扬根 徐靖 丁明武 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第6期689-692,共4页
The crystal structure of the title compound ethyl 3-(4-chlorophenyl)-3,4-dihydro-6- methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate (C20H20ClN3O4, Mr= 401.84) has been prepared and determined... The crystal structure of the title compound ethyl 3-(4-chlorophenyl)-3,4-dihydro-6- methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate (C20H20ClN3O4, Mr= 401.84) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 20.6215(9), b = 8.5311(4), c = 21.6886(9) A^°, β = 91.607(1)°, V = 3814.0(3)A^°^3, Z = 8, Dc = 1.400 g/cm^3, F(000) = 1680, μ = 0.233 mm^-1, R = 0.0718 and wR = 0.1545 for 6717 observed reflections with I 〉 2σ(I). X-ray diffraction analysis reveals two crystallographically independent molecules in the asymmetric unit. 展开更多
关键词 crystal structure ethyl 3-(4-ehlorophenyl)-3 4-dihydro-6-methyl-4-oxo-2- (pyrrolidin-1-yl)furo[2 3-d]pyrimidine-5-earboxylate aza-Wittig reaction synthesis
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Synthesis,Crystal Structure and Plant Growth Regulatory Activity of 1-(3-Amino-[1,2,4]triazol-1-yl)-3,3-dimethyl-butan-2-one 被引量:1
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作者 蔡光容 郑殿峰 +1 位作者 李冰 冯乃杰 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第4期599-604,共6页
The title compound 1-(3-amino-[1,2,4]triazol-1-yl)-3,3-dimethyl-butan-2-one(3) was synthesized by Hofmann-alkylation reaction of 1-chloro-3,3-dimethyl-butan-2-one(1) and ~1H-[1,2,4]triazol-3-ylamine(2) with eq... The title compound 1-(3-amino-[1,2,4]triazol-1-yl)-3,3-dimethyl-butan-2-one(3) was synthesized by Hofmann-alkylation reaction of 1-chloro-3,3-dimethyl-butan-2-one(1) and ~1H-[1,2,4]triazol-3-ylamine(2) with equal amount of K_2CO_3 as acid acceptor. The structure of compound 3 was characterized by ~1H NMR, 13 C NMR, HRMS and single-crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group P21/n with a = 5.7227(8), b = 27.924(4), c = 6.2282(7) ?, β = 101.892(11)°, V = 973.9(2) ?~3, Z = 4, T = 180.00(10) K, μ(MoKα) = 0.087 mm^(-1), Dc = 1.243 g/cm^3, 3832 reflections measured(3.648≤θ≤26.022°), 1916 unique reflections(Rint = 0.0359, Rsigma = 0.0572) used in all calculations. The final R = 0.0557(I 〉 2σ(I)) and w R = 0.1276(all data). Bioassay showed that 3 displayed excellent activity as plant growth regulator with inducing lateral root formation and enhancing primary root elongation at 0.27 mmol/L(50 ppm) in soybeen(He Feng-50). Good water solubility was found with 50 mg in 1 m L of water. Therefore, application of 3 in agriculture is more environmentally friendly due to cosolvent-free condition, and results in improved abiotic-stress tolerance by affecting the root growth. And furthermore, it can be used as a precursor to investigate the function of regulating plant root growth. 展开更多
关键词 1-(3-amino-[1 2 4]triazol-1-yl)-3 3-dimethyl-butan-2-one crystal structure synthesis plant growth regulator
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Synthesis, Crystal Structure and Antitumor Activity of 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-(2-hydroxy-3,5-diiodinebenzyl)-thiazol-2-amine 被引量:1
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作者 叶姣 谢选青 +3 位作者 李康明 刘永超 孙利 胡艾希 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第3期344-348,共5页
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
关键词 4-(tert-butyl)-5-(1H-1 2 4-triazol-1-yl)-N-(2-hydroxy-3-5-diiodinebenzyl)-thiazol-2-amine synthesis crystal structure antitumor activity
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Synthesis, Crystal Structure and Antitumor Activity of (E)-1-(7-Methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5- yl)-3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol
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作者 李水师 李婉 +1 位作者 叶姣 胡艾希 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第7期1142-1146,共5页
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
关键词 (E)-1-(7-methoxy-2 2-dimethyl-2 3-dihydrobenzofuran-5-yl)-3-(2-methoxyphenyl)-2-(1H-1 2 4-triazol-1-yl)propenol synthesis crystal structure antitumor activity
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Synthesis and Crystal Structure of N-[(3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl]-3-(trifluoromethyl)phenylmethanimine
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作者 周辛波 谢云德 +2 位作者 钟武 王建柏 李松 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第8期1231-1235,共5页
The crystal structure of the title compound(C19H15F3N2O2,Mr = 360.33) was determined by single-crystal X-ray diffraction.The crystal belongs to triclinic,space group P1,with a = 6.5604(7),b = 13.9614(16),c = 18.... The crystal structure of the title compound(C19H15F3N2O2,Mr = 360.33) was determined by single-crystal X-ray diffraction.The crystal belongs to triclinic,space group P1,with a = 6.5604(7),b = 13.9614(16),c = 18.1790(18) ,α = 102.749(7),β = 97.542(6),γ = 94.355(4)°,V = 1600.5(3) 3,Z = 4,Dc = 1.495 g/cm3,λ(MoKα) = 0.71070,F(000) = 744,μ(MoKα) = 0.122 mm-1,R = 0.0434 and wR = 0.1051.A total of 7590 unique reflections were collected,of which 5429 with |F|2 ≥ 2σ|F|2 were observed.The two cyclohexene rings in the molecule adopt boat-boat conformations with the deviations of ring atoms C(9) and C10 from the C(5)/C(6)/C(7)/C(8) plane(Ⅰ) by 1.1204(0.0023) and 1.1132(0.0023) ,respectively,whereas from the C(2)/C(3)/C(5)/C(8) plane(Ⅱ) by 1.1627(0.0022) and 1.1818(0.0021) ,respectively.In the cyclopropane and lactam rings,atoms C(11) and N(1) point towards the double bond of C(9)-C(10) and the dihedral angle between the ring plane(Ⅲ) containing C(1),C(2),C(3) and C(4) and plane(IV) consisting of C(6),C(7) and C(11) is 55.76(0.07)°.The dihedral angles between planes Ⅳ and Ⅰ and Ⅱ and Ⅲare 63.58(0.07)° and 58.10(0.06)°,respectively.The dihedral angle between the benzene ring C(13)~ C(18) and plane Ⅳ is 42.41(0.06)°. 展开更多
关键词 N-[(3aR 4R 4aR 5aS 6S 6aS)-1 3-dioxooctahydro-4 6-ethenocyclopropa[f]isoin-dol-2(1H)-yl]-3-(trifluoromethyl)phenylmethanimine crystal structure synthesis
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Crystal Structure,Thermal Behavior and Luminescence of a New Dimeric Manganese(Ⅱ) Complex Constructed with 3-Carboxy-1-carboxymethyl-2-oxidopyridinium 被引量:1
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作者 王秀艳 王维 赵芳薇 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第3期392-396,共5页
A new dimeric Mn(Ⅱ) complex,namely,[Mn(L)(PIP)]_2·H_2O(1),was synthesized under hydrothermal condition(H_2L = 3-carboxy-1-carboxymethyl-2-oxidopyridinium and PIP = 2-(pyridin-3-yl)-1H-imidazo[4,5-f][1... A new dimeric Mn(Ⅱ) complex,namely,[Mn(L)(PIP)]_2·H_2O(1),was synthesized under hydrothermal condition(H_2L = 3-carboxy-1-carboxymethyl-2-oxidopyridinium and PIP = 2-(pyridin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline).It crystallizes in triclinic,space group P1 with a = 9.2037(13),b = 9.6794(13),c = 14.649(3) A,α = 94.858(3),β = 94.928(3),γ = 114.468(2)o,V = 1172.9(3) A^3,Z = 1,C_(52)H_(34)Mn_2N_(12)O_(11),Mr = 1112.79,Dc = 1.575 g/cm^3,F(000) = 568,μ(Mo Ka) = 0.618 mm^-1,R = 0.0432 and w R = 0.1151.In 1,two L anions bridge two Mn(Ⅱ) atoms to give a dimeric [Mn(L)(PIP)] unit with the Mn···Mn distance of 3.009(2) A.The two PIP ligands are located on both sides of the dimer,which provides suitable π-π stacking interactions between PIP ligands.By these π-π stacking interactions,adjacent dimers are extended into a two-dimensional supramolecular layer.Further,the strong N–H···O hydrogen bond stabilizes the supramolecular layer structure of 1.Moreover,the thermal behavior and luminescent property of 1 have been studied. 展开更多
关键词 crystal structure dimer 3-carboxy-1-carboxymethyl-2-oxidopyridinium 2-(pyridin-3-yl)-1H-imidazo[4 5-f][1 10]phenanthroline
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Aspects on the Mechanism of the 1-Phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoxaline Formation
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作者 Mohamed A. Mostafa Salah L. Aboulela +2 位作者 Mohammed A. E. Sallam Farida F. Louis Thorleif Anthonsen 《Green and Sustainable Chemistry》 2012年第2期71-75,共5页
Condensation of D-glucose, o-phenylenediamine and N,N-benzylphenylhydrazine hydrochloride (NNBPHH) in a one-pot reaction, or condensation of 2-(D-arabino-tetritol-1-yl) quinoxaline and NNBPHH, gave 3-(D-erythro-glycer... Condensation of D-glucose, o-phenylenediamine and N,N-benzylphenylhydrazine hydrochloride (NNBPHH) in a one-pot reaction, or condensation of 2-(D-arabino-tetritol-1-yl) quinoxaline and NNBPHH, gave 3-(D-erythro-glycerol-1- yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline. The structure of the latter was determined by 1H NMR spectroscopy and by synthesis using phenylhydrazine hydrochloride instead of NNBPHH. Condensation of D-glucose and 4,5-dichloro-o-phenylenediamine gave 6,7-dichloro-2-(D-arabino-tetritol-1-yl)quinoxaline, which upon condensation with NNBPHH gave the corresponding 6,7-dichloro-3-(D-erythro-glycerol-1-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline. The structure and mechanism of formation of these compounds are discussed. 展开更多
关键词 2-(D-arabino-tetritol-1-yl)quinoxaline Pyrazolo[3 4-b]quinoxalines 3-(D-erythro-glycerol-1-yl)-1-phenyl-1H-pyrazolo-[3 4-b]qunoxaline 4 5-Dichloro-o-phenylenediamine 6 7-Dichloro-2-(D-arabino-tetritol-1-yl)quinoxaline 7-Dichloro-3-(D-erythro-glycerol-1-yl)-1-phenyl-1H-pyrazolo-[3 4-b]quinoxaline N N-Benzylphenylhydrazine hydrochloride
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Cascade reaction of 3-formylchromones:Highly selective synthesis of 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes
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作者 Ying Lv Li Chen +2 位作者 Xinghan Yun Kun Li Shengjiao Yan 《Green Synthesis and Catalysis》 2024年第2期94-101,共8页
A novel method for the preparation of highly functionalized 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes(OPCMs)from 3-formylchromones andα-isocyanoacetates via an unprecedented three-component[1+1+3]cycloaddition reaction i... A novel method for the preparation of highly functionalized 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes(OPCMs)from 3-formylchromones andα-isocyanoacetates via an unprecedented three-component[1+1+3]cycloaddition reaction in one pot was developed.The three-component cascade reaction was enabled by refluxing a mixture of the substrates in 1,4-dioxane in the presence of Ag_(2)CO_(3) as a Lewis acid promoter.As a result,a series of functionalized pyrroles(OPCMs,3),was prepared regioselectively and in high yields(80%-88%)through the formation of three bonds.This protocol can be used in the synthesis of OPCMs rather than through conventional,multi-step reactions and is suitable for both combinatorial and parallel syntheses of pyrroles. 展开更多
关键词 4-Oxo-3-(1H-pyrrol-3-yl)-4H-chromenes THREE-COMPONENT Cascade reaction [1+1+3]cycloaddition 3-Formylchromones
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Effect of protease inhibitor from Agaricus bisporus on glucose uptake and oxidative stress in 3T3-L1 adipocytes
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作者 Reena Vishvakarma Abha Mishra 《Asian Pacific Journal of Tropical Biomedicine》 SCIE CAS 2020年第3期136-146,共11页
Objective:To explore the effect of the protease inhibitor from Agaricus bisporus(J.E.Lange)Imbach(AbPI)on glucose uptake and oxidative stress in 3 T3-L1 adipocytes.Methods:Adipocytes were differentiated and stained wi... Objective:To explore the effect of the protease inhibitor from Agaricus bisporus(J.E.Lange)Imbach(AbPI)on glucose uptake and oxidative stress in 3 T3-L1 adipocytes.Methods:Adipocytes were differentiated and stained with OilRed-O staining to confirm adipogenesis.The toxic/protective effect of AbPI on the adipocytes was determined by MTT assay,intracellular reactive oxygen species generation through flow cytometry,and morphologically through confocal microscopy using propidium iodide,4,6-diamino-2-phenylindol dihydrochloride,and 2’,7’-dichlorofluorescein diacetate dyes.The uptake of fluorescent glucose analog,2-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-2-deoxy-d-glucose by adipocytes was also studied through confocal microscopy.Results:MTT assay showed that the cell survival rate was(28.00±3.00)%,(92.33±2.60)%,and(71.34±2.10)%in the presence of 2 mM H2O2,AbPI alone,and AbPI and H2O2 both,respectively,in comparison to the control.Oil-Red-O staining indicated that Ab PI enhanced adipogenesis.AbPI stimulated the glucose uptake by adipocytes similar to the drug rosiglitazone,and showed insulinsensitizing effect in the presence of insulin,but failed to stimulate the uptake in the absence of insulin.Intracellular reactive oxygen species generation was reduced in differentiating adipocytes upon Ab PI treatment.Confocal microscopy showed that the damaged cell population rose to 3.50%,117.84%,and 261.50%in the presence of Ab PI alone,AbPI with H2O2,and H2O2 alone,respectively.Conclusions:The protease inhibitor enhances glucose uptake by adipocytes and exhibits a cytoprotective effect on them. 展开更多
关键词 Protease inhibitor AGARICUS bisporus 2-[N-(7-nitrobenz-2-oxa-1 3-diazol-4-yl)amino]-2-deoxy-d-glucose Oxidative stress Hydrogen PEROXIDE 3T3-L1 ADIPOCYTES
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One Novel Tetranuclear Copper Cluster by 2-(1H-Pyrazol-3-yl)pyridine:Synthesis, Structure and Properties
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作者 朱梅 谢伟楠 +4 位作者 杨买娥 华丰珍 张国宁 王玉成 赵红 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2020年第5期949-954,共6页
A novel tetranuclear copper cluster[Cu4(μ-L)6Cl2]was constructed by 2-(1H-pyrazol-3-yl)pyridine(HL)under hydrothermal conditions,and structurally concluded by single-crystal X-ray diffractions,elemental analyses and ... A novel tetranuclear copper cluster[Cu4(μ-L)6Cl2]was constructed by 2-(1H-pyrazol-3-yl)pyridine(HL)under hydrothermal conditions,and structurally concluded by single-crystal X-ray diffractions,elemental analyses and IR spectra.The title complex 1 was of triclinic system,space group■,C24H18ClCu2 N9,Mr=595.01,a=9.6497(13),b=11.4133(7),c=13.0919(15)?,α=99.166(7),β=108.707(11),γ=111.974(9)°,V=1200.7(2)?3,Z=2,Dc=1.997 g/cm^3,F(000)=706,μ(MoKα)=3.203 nm-1,Rint=0.0404,R=0.0536 and wR=0.1490 for4890 observed reflections with I>2σ(I).In this structure,complex 1 was the unimolecule with unprecedented tetranuclear cluster,which was expanded into a 2D network by wide-ranging C-H…Cl intermolecular hydrogen bonds and further exhibited a 3D supramolecular architecture based onπ-πstacking interactions.In addition,the complex was thermally stable up to 300℃and the solid state fluorescent property of 1 was examined and compared with the ligand. 展开更多
关键词 2-(1h-pyrazol-3-yl)pyridine tetranuclear copper cluster fluorescent property
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