Synthesis, Crystal Structure, and Biological Activity of N-（ （ 1-cy clo h e xyl- 1H-tetrazo l-5-yl）（ 5-methyl- 1,2,3- thiadiazol-4-yl）methyl）-4-nitrobenzenamine

• 作者: FAN Run-Zhen FAN Zhi-Jin HUA Xue-Wen HUANG Yun JI Xiao-Tian SONG Hai-Bin WANG Dun WANG Shou-Xin
• 来源期刊: 结构化学
• 学科: 化学
• 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
• 年，卷（期）: 2012,（6）
• 页码范围: 803-808
• 页数: 6页
• 分类号: O614.121|O626.25
• 语种: 英文

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.

作者信息

序号	姓名	单位	发文数	被引次数	H指数	G指数
1	WANG Dun		2	0	0.0	0.0
2	FAN Zhi-Jin		2	0	0.0	0.0
3	SONG Hai-Bin		2	0	0.0	0.0
4	FAN Run-Zhen		1	0	0.0	0.0
5	WANG Shou-Xin		1	0	0.0	0.0
6	HUA Xue-Wen		1	0	0.0	0.0
7	JI Xiao-Tian		1	0	0.0	0.0
8	HUANG Yun		1	0	0.0	0.0