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V. I. Sokol V. V. Davydov N. Yu. Merkur'eva V. S. Sergienko O. A. Al-Saleh Yu. V. Shklyaev 《Russian Journal of Coordination Chemistry》2005,31(11):780-789
The complex [CuL(NO3)2] ? CH3CN(I), where L is 1-(3-methyl-1-phenylpyrazol-5-onylidene-4)-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline, is synthesized and studied by X-ray diffraction and IR and electronic absorption spectroscopies. Complex I is prepared by the reaction of copper(II) nitrate crystal hydrate with L in acetonitrile. The coordination polyhedron of the Cu atom in I is a distorted (4 + 1) five-vertex polyhedron, and ligand L in the structure acts as N,O-bidentate bridge. The nitrate groups in I perform different structural functions: monodentate-terminal and anisobidentate. Structure I is composed of polymeric chains -L-Cu(NO3)2-L- and solvate acetonitrile molecules arranged between the chains. 相似文献
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Davydov V. V. Al-Salekh O. A. Mercur'eva N. Yu. Ryabov M. A. Sokol V. I. Sergienko V. S. Shklyaev Yu. V. 《Russian Journal of Coordination Chemistry》2003,29(1):16-21
Twenty new complexes were synthesized by reacting Co(II), Cu(II), Zn, Cr(III), Fe(III), Cd and Ag salts with 3,3-dimethyl-1-(3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline (L1), spiro{cyclohexane-1,3"-[1-(1-phenyl-3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline]} (L2), and 3,3-dimethyl-1-(1-phenyl-3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline (L3). These compounds were studied by IR and electronic absorption spectroscopy. The type of coordination of their ligands was discussed on the basis of the results obtained and X-ray diffraction data for L3 and [CuL2
2 Cl2] · 2L2 obtained previously. 相似文献
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1INTRODUCTIONManypyrazolederivativeshavebeenreportedtoshowvariousbiologicalactivitiestobeusedasbactericide[1],fungicide[2],herbicide[3],insecticide[4]andvirucide[5]agents.Inaddition,4-thiazolidinoneplaysavitalroleowingtoitswiderangeofbiologi-calactivities… 相似文献
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The title compound(C16H15ClN2)has been synthesized by a facile self-condensation of ο-tolunitrile promoted by potassium tert-butanolate in DMPU,and its structure was characterized by 1H NMR,13C NMR,IR,UV,HRMS and X-ray single-crystal diffraction.The crystal belongs to orthorhombic.space group Pna21 with a=19.560(3),b=7.8500(14),c=18.428(3)(A),Dc=1.271g/cm3,Z=8,λ=0.71073(A),μ(MoKα)=0.257 mm-1,Mr=270.75,V=2829.5(8)(A)3,Hack parameter=0.12(12),F(000)=1136,the final R=0.0571 and wR=0.1445 for 2701 observed reflections with I>2σ(I).The intermolecular N-H…Cl hydrogen bonds link the molecules into a one-dimensional chain running along axis a. 相似文献
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本文报道了R和S-1-(3'-溴-4'-甲氧基)苄基-2-甲基-6-甲氧基-7-羟基-1,2,3,4-四氢异喹啉的合成。 相似文献
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2,2-二甲基-5-取代苯基-3-(1,2,4-三唑-1/4-甲基)-3-戊醇类化合物的合成、表征及生物活性 总被引:1,自引:0,他引:1
取代苯甲醛经缩合、催化氢化、环氧化和开环反应合成了9种2,2-二甲基-5-取代苯基-3-(1,2,4-三唑-1-基甲基)-3-戊醇类化合物和2种2,2-二甲基-5-取代苯基-3-(1,2,4-三唑-4-基甲基)-3-戊醇类新化合物. 并对1,2,4-三唑-1-基衍生物和1,2,4-三唑-4-基衍生物的选择性合成进行了研究; 新化合物结构经质谱, 1H NMR, 元素分析等确证, 并用单晶X射线衍射测定了化合物1a的晶体结构. 生物活性测试结果表明, 部分化合物具有强杀菌活性. 相似文献
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S. T. Malinovskii V. P. Tashchi M. Z. Krimer A. B. Kamenskii Yu. G. Putsykin 《Russian Chemical Bulletin》1995,44(4):695-698
The synthesis and X-ray structural study of 1-(4-chlorophenyl)-3-(5-methyl-1,3-dioxan-5-yl)-(1,2), (3,4)-diepoxybutane are described.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 715–718, April, 1995. 相似文献
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WU Jie-Ying ;ZHAO Qiong ;LIU Zhao-Di ;LI Jian-Feng ;ZHOU Hong-Ping ;TIAN Yu-Peng 《结构化学》2009,28(9):1160-1166
A novel pyridine derivate, 9-hexyl-3-((pyridin-4-yl)vinyl)-9H-carbazole, was synthesized and characterized by 1H NMR spectra and X-ray diffraction analysis. The complex crystallizes in monoclinic, space group P21/n with a = 9.111(5), b = 8.239(5), c = 26.835(5) A, β = 95.340(5)°, Mr = 354.48, V = 2005.6(17) A3, Z = 4, Dc = 1.174 g/cm3,μ = 0.068 mm^-1, F(000) = 760, R = 0.0565 and wR = 0.1550 for 12635 observed reflections (I 〉 2σ(I)). Density functional theory (DFT) calculations were carried out to interpret its UV-Vis spectra, and the results are in agreement with the available experiments. 相似文献
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1 INTRODUCTION 4-Acyl-5-pyrazolone, a family of flexible b- diketonate, is widely used as extract[1] and well known for its applications as analgesics, antipyre- tics, anti-inflammatory and insecticides[2]. Therefore the study on the derivation of 4-acyl-5-pyrazolone is the focus of many research groups working in the fields of coordination chemistry, biomedicine and pharmaceutical chemistry. In order to study the rela- tionship between the structure and performance of these compounds, w… 相似文献
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Sokol V. I. Shklyaev Yu. V. Ryabov M. A. Sergienko V. S. Merkur'eva N. Yu. Davydov V. V. Safronov S. B. 《Russian Journal of Coordination Chemistry》2002,28(8):595-600
1-(cyano[benzimidazole-2-yl])methylene-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline was synthesized and studied by X-ray diffraction analysis and IR and electronic absorption spectroscopy. The model quantum-chemical calculations were performed. 相似文献
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SHEN Ru-Wei YANG Yu-Zhu CAO Jian WU Lu-Ling HUANG Xian 《结构化学》2007,26(12):1505-1508
The title compound 4-bromo-5-ethoxy-3-methyl-5-(naphthalen-1-yl)-1-tosyl-1H- pyrrol-2(5H)-one 1 (C24H22BrNO4S, Mr = 500.40) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 8.8562(15), b = 18.118(3), c = 14.055(2) , β = 99.855(3)o, V = 2221.9(6) 3, Z = 4, Dc = 1.496 g/cm3, μ = 1.975 mm-1, λ = 0.71073 , F(000) = 1024, R = 0.0607 and wR = 0.1371. 相似文献
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通过1-苯基-3-甲基-4-氯乙酰基-吡唑啉酮-5(PMCP)和氨基硫脲( TSC)缩合,形成了一种含NNS六元杂环的光致变色化合物(PMCP-TSC)。利用元 素分析,MS,”1H NMR,IR和UV光谱进行了表征。通过紫外可见光谱对它的光致 变色性质进行了研究,测出了光致变色反应的动力学常数。并用X线单晶衍射仪测 定了PMCP-TSC变色后的晶体结构,该晶体属单斜晶系,具有P2_1/c空间群,a = 0.105 10(2) nm, b = 0.150 61(3) nm, c = 0.993 70(10) nm, β = 107.890 (10)°, V = 1.496 9(4) nm~3, Z - 4, D_c = 1.417 Mg/m~3, μ = 0.232 mm~(- 1), F(000) = 672, R = 0.033 4, wR = 0.089 6。结构分析表明:其光致变色现 象是由于它在溶剂与光的共同作用下发生了从醇式到酮式的异构化。同时该化合物 经分子间氢键形成二聚体,又通过甲醇与本体分子之间的氢键使化合物形成具有三 维网络结构的超分子化合物。 相似文献
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3-Methyl(amino)-1-phenylpyrazol-5-ones react with N-chlorosulfenylphthalimide to give 4-phthalimidothiopyrazoles which decompose to form 3-methyl(amino)-1-phenylpyrazol-5-one-4-thiones. They were identified as their spirocyclic adducts with dienes. Oxidation of the latter with m-chloroperbenzoic acid gives spirocyclic sulfoxides and sulfones.Institute of Organic Chemistry, Ukraine Academy of Sciences, Kiev 253660. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 2, pp. 187–192, February, 2000. 相似文献
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1-苯基-3-甲基-4-(6-氢-4-甲基氨基-5-硫杂-2,3-吡嗪)-吡唑啉酮的合成与晶体结构 总被引:1,自引:0,他引:1
通过1-苯基-3-甲基-4-氯乙酰基-吡唑啉酮-5 (PMCP) 和4-甲基氨基硫脲 (MTSC) 缩合, 形成了一种新的双杂环化合物 (PMCP-MTSC)。利用元素分析与单晶X-射线衍射进行了表征。 该化合物(C14H15N5OS)属单斜晶系, P21 空间群, 晶体学参数为 a = 7.634(1), b = 11.639(2), c = 8.150(2) ? ?= 98.13(1), V = 716.9(2) ?, Z = 2, Dc = 1.396 g/cm3, (MoKa) = 0.232 mm-1, F(000) = 316, Mr = 301.37。结构由直接法解出,共收集3114个衍射点,其中I > 2(I)的独立衍射点有2453个,用全矩阵最小二乘法修正,最终偏离因子:R = 0.0294, wR = 0.0738。结构分析表明: 该化合物以酮式存在,分子间通过氢键作用(N(5)H…O)连接起来并形成一维链状结构。 相似文献