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Crystal Structure and Spectral Characters of 2-(4-Methylbenzoly)-3-(4-chlrolphenyl) -4-(1,2,4-triazole)-5-anilino-thiopene
引用本文:许良忠,建方方,曹克广,王忠卫.Crystal Structure and Spectral Characters of 2-(4-Methylbenzoly)-3-(4-chlrolphenyl) -4-(1,2,4-triazole)-5-anilino-thiopene[J].结构化学,2004,23(7):739-742.
作者姓名:许良忠  建方方  曹克广  王忠卫
作者单位:XU Liang-Zhonga JIAN Fang-Fanga② CAO Ke-Guangb,c WANG Zhong-Weib a (New Materials & Function Coordination Chemistry Laboratory,Qingdao University of Science and Technology,Qingdao 266042,China) b (School of Chemical Industry and Material,Beijing Institute of Technology,Beijing 100081,China) c (Chengde Petroleum College,Chengde 067000,China)
基金项目:This work was supported by the Natural Science Foundation of Shandong Province (No. Y2002B06)
摘    要:1 INTRODUCTION The triazole derivatives were widely studied because they represent the largest group of modern fungicides and extensively used in both human and veterinary therapy and in agriculture1~3]. For exam- ple, there are commercially available …

关 键 词:晶体结构  光谱特征  硫代喷丸  1  2  4-三唑  甲苯基  氢键

Crystal Structure and Spectral Characters of 2-(4-Methylbenzoly)-3-(4-chlrolphenyl)-4-(1,2,4-triazole)-5-anilino-thiopene
Abstract:The title compound 2-(4-methylbenzoly)-3-(4-chlrolphenyl)-4-(1,2,4-triazole)-5-anilino-thiopene has been prepared and characterized by IR,EA,1H NMR,UV,MS and X-ray analysis.It crystallizes in the triclinic system,space group P with a = 8.061(2),b = 9.981(2),c = 15.462(3)(A) ,α = 90.96(3),β = 103.11(3),γ = 106.26(3)o,Mr = 470.96 (C26H19ClN4OS),V = 1158.8(4)(A)3,Z = 2,Dc = 1.350 g/cm3,F(000) = 488,μ = 0.282 mm-1,R = 0.0482 and Wr = 0.1043.In the crystal lattice,there exist some intermolecular hydrogen bonds,π-π stacking interactions and C-H··π supramolecular interactions.In the solid state,all of the above intermolecular interactions in the title compound can stabilize the crystal structure.
Keywords:crystal structure  thiopene  1  2  4-triazole  hydrogen bond
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