Synthesis, Crystal Structure and Biological Activity of N-(tert-butyl)-N'-(2-(4-chlorophenyl)acetyl)-5-methyl-1,2,3-thiadiazole-4-carbohydrazide  

作　　者：王盾 毛武涛 范志金 李娟娟 黄云 宋海斌 范谦 Tatiana A. Kalinina Glukhareva Tatiana Morzherin Yury Yur'evich Belskaya N. Pavlovna Bakulev V. Alekseevich 

机构地区：[1]Department of Plant Pathology,Sichuan Agricultural University [2]State Key Laboratory of Elemento-organic Chemistry,Nankai University [3]Sichuan Functional Heterocyclic Compounds Engineering Technology Research Center,Lier Chemicals Co.,Ltd. [4]The Ural Federal University Named after the First President of Russia B. N. Yeltsin

出　　处：《Chinese Journal of Structural Chemistry》2013年第5期673-678,共6页结构化学（英文）

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 Application of Tianjin Agricultural Science and Technology (201002250);Tianjin Key Technology Research and Development Program (11ZCGYNC00100)

摘　　要：The title compound N-（tert-butyl）-N＇-（2-（4-chlorophenyl）acetyl）-5-methyl-1,2,3-thiadiazole-4-carbohydrazide （C16H19ClN4NaO2S, Mr = 366.86） has been synthesized, and its structure was characterized by IR, 1H NMR, H RMS and single-crystal X-ray diffraction. The crystal of the title compound belongs to triclinic, space group Pī with a = 8.464（2）, b = 10.192（2）, c = 11.757（2）, α = 68.48（3）, β = 76.31（3）, γ = 80.86（3）°, Z = 2, V = 2024.6（10） 3, Dc = 1.333 g/cm3, μ = 0.339 mm-1, F（000） = 384, R = 0.0450 and wR （Ⅰ 〉 2σ（Ⅰ）） = 0.1234. X-ray analysis indicates one N-H…N intermolecular hydrogen bond and no π-π stacking interactions are observed in this crystal structure. The preliminary biological test shows that the title compound has fungicidal activity and antivirus activities against tobacco mosaic virus.The title compound N-（tert-butyl）-N＇-（2-（4-chlorophenyl）acetyl）-5-methyl-1,2,3-thiadiazole-4-carbohydrazide （C16H19ClN4NaO2S, Mr = 366.86） has been synthesized, and its structure was characterized by IR, 1H NMR, H RMS and single-crystal X-ray diffraction. The crystal of the title compound belongs to triclinic, space group Pī with a = 8.464（2）, b = 10.192（2）, c = 11.757（2）, α = 68.48（3）, β = 76.31（3）, γ = 80.86（3）°, Z = 2, V = 2024.6（10） 3, Dc = 1.333 g/cm3, μ = 0.339 mm-1, F（000） = 384, R = 0.0450 and wR （Ⅰ 〉 2σ（Ⅰ）） = 0.1234. X-ray analysis indicates one N-H…N intermolecular hydrogen bond and no π-π stacking interactions are observed in this crystal structure. The preliminary biological test shows that the title compound has fungicidal activity and antivirus activities against tobacco mosaic virus.

关 键 词：X-ray diffraction crystal structure SYNTHESIS 1 2 3-thiadiazole biological activity 

分 类 号：O626[理学—有机化学]