文献类型：期刊文献

中文题名：Synthesis, Crystal Structure, and Biological Activity of N-((1-cyclohexyl-1H-tetrazol-5-yl)(5-methyl-1,2,3- thiadiazol-4-yl)methyl)-4-nitrobenzenamine

英文题名：Synthesis, Crystal Structure, and Biological Activity of N-((1-cyclohexyl-1H-tetrazol-5-yl)(5-methyl-1,2,3-thiadiazol-4-yl)methyl)-4-nitrobenzenamine

作者：Fan Run-Zhen[1];Wang Dun[2];Fan Zhi-Jin[3];Wang Shou-Xin[3];Hua Xue-Wen[3];Ji Xiao-Tian[3];Huang Yun[2];Song Hai-Bin[3]

机构：[1]Guangdong Ocean Univ, Coll Sci, Zhanjiang 524025, Guangdong, Peoples R China;[2]Sichuan Agr Univ, Dept Plant Pathol, Chengdu 611130, Peoples R China;[3]Nankai Univ, State Key Lab Elemento Organ Chem, Tianjin 300071, Peoples R China

年份：2012

卷号：31

期号：6

起止页码：803

中文期刊名：结构化学

外文期刊名：CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

收录：SCI-EXPANDED(收录号：WOS:000306030100006)、、Scopus(收录号：2-s2.0-84863300792)、CSCD2011_2012、WOS、CSCD

基金：This study was funded in part by the NNSFC (20872071), the NSF of Tianjin (10JCZDJC17500), the National Key Project for Basic Research (2010CB126105) and National Key Technology Research and Development Program (2011BAE06B02 and 2011BAE06B05) and the Foundation of Achievements Transformation and Spreading of Tianjin Agricultural Science and Technology (201002250), and the Common Wealth Specialized Research Fund of China Agriculture (nyhyzx3-21, 201103016 and 201003029)

语种：英文

中文关键词：晶体结构;噻二唑;生物活性;单晶X-射线衍射;抗烟草花叶病毒;标题化合物;合成;X射线分析

外文关键词：crystal structure; synthesis; 1,2,3-thiadiazole; tetrazole

中文摘要：The title compound N-((1-cyclohexyl-1H-tetrazol-5-yl)(5-methyl-1,2,3-thiadiazol-4-yl) methyl)-4-nitrobenzenamine (C17H20N8O2S, Mr = 400.47) was synthesized via Ugi fourcomponents condensation reaction (U-4CR), and its structure was characterized by IR, 1H NMR, high-resolution mass spectrometry and single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group Pna21 with a = 20.390(2), b = 12.9660(14), c = 6.9399(8) , β = 90.00°, Z = 4, V = 1834.7(3)3, Mr = 400.47, Dc = 1.450 g/cm3, μ = 0.210 mm-1, F(000) = 840, R = 0.0348 and wR = 0.0717. X-ray analysis reveals that the dihedral angles formed between the thiadiazole and tetrazole rings, the benzene and tetrazole rings and the thiadiazole and benzene rings are 62.59, 86.73 and 70.07°, respectively. Three intermolecular hydrogen bonds N(1)-H(2)···N(6), C(4)-H(4B)···O(2) and C(17)-H(17)···N(3) are observed. Bioassay shows that the title compound has antifungal and antivirus activities against tobacco mosaic virus.

外文摘要：The title compound N-((1-cyclohexyl-1H-tetrazol-5-yl)(5-methyl-1,2,3-thiadiazol-4-yl) methyl)-4-nitrobenzenamine (C17H20N8O2S, M-r = 400.47) was synthesized via Ugi four-components condensation reaction (U-4CR), and its structure was characterized by IR, H-1 NMR, high-resolution mass spectrometry and single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group Pna2(1) with a = 20.390(2), b = 12.9660(14), c = 6.9399(8) angstrom, beta = 90.00 degrees, Z = 4, V = 1834.7(3) angstrom(3), M-r = 400.47, D-c = 1.450 g/cm(3), mu = 0.210 mm(-1), F(000) = 840, R = 0.0348 and wR = 0.0717. X-ray analysis reveals that the dihedral angles formed between the thiadiazole and tetrazole rings, the benzene and tetrazole rings and the thiadiazole and benzene rings are 62.59, 86.73 and 70.07 degrees, respectively. Three intermolecular hydrogen bonds N(1)-H(2)center dot center dot center dot N(6), C(4)-H(4B)center dot center dot center dot O(2) and C(17)-H(17)center dot center dot center dot N(3) are observed. Bioassay shows that the title compound has antifungal and antivirus activities against tobacco mosaic virus.