摘要
The title compound N-（（1-cyclohexyl-lH-tetrazol-5-yl）（5-methyl-l,2,3-thiadia- zol-4-yl） methyl）-4-nitrobenzenamine （C17H20N8O2S, Mr = 400.47） was synthesized via Ugi four- components condensation reaction （U-4CR）, and its structure was characterized by IR, aH 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） A,β = 90.00°, Z = 4, V= 1834.7（3）A3, 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.
The title compound N-（（1-cyclohexyl-lH-tetrazol-5-yl）（5-methyl-l,2,3-thiadia- zol-4-yl） methyl）-4-nitrobenzenamine （C17H20N8O2S, Mr = 400.47） was synthesized via Ugi four- components condensation reaction （U-4CR）, and its structure was characterized by IR, aH 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） A,β = 90.00°, Z = 4, V= 1834.7（3）A3, 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.
基金
funded in part by the NNSFC(20872071)
the NSF of Tianjin(10JCZDJC17500)
the National Key Project for Basic Research(2010CB126105)
National Key Technology Research and Development Program(2011BAE06B02 and 2011BAE06B05)
the Foundation of Achievements Transformation and Spreading of Tianjin Agricultural Science and Technology(201002250)
the Common Wealth Specialized Research Fund of China Agriculture (nyhyzx3-21,201103016and201003029)
