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Synthesis,Crystal Structure and Fungicidal Activity of 3-(4-Chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)-6-(E)phenylvinyltriazolo[3,4-b]-1,3,4-thiadiazole
作者姓名:陈寒松  李正名  杨小平  王宏根  姚心侃
作者单位:CHEN Han Song LI Zheng Ming\ * YANG Xiao Ping (Institute of Elemento Organic Chemistry,Nankai University,Tianjin 300071) WANG Hong Gen YAO Xin Kan (Central Laboratory,Nankai University,Tianjin 300071)
摘    要:1 INTRODUCTIONInrecentyears ,triazolo3,4, b] 1 ,3,4 thiadiazolederivativeshavebeenat tractingmuchattentionfromchemistsandpharmacologistsbecausetheyshowbroadspectraofbiologicalactivities,suchasinsecticidal1 ] ,antifungal2 ] ,herbicidal3] ,an tibacterial4] ,hypotensiv…


Synthesis, Crystal Structure and Fungicidal Activity of 3- ( 4- Chloro- 3- ethyl- 1 -methyl- 1 H- pyrazol- 5-yl ) - 6- (E) phenylvinyltriazolo [ 3, 4-b ] - 1,3, 4-thiadiazole
CHEN Han Song LI Zheng Ming\,YANG Xiao Ping.Synthesis,Crystal Structure and Fungicidal Activity of 3-(4-Chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)-6-(E)phenylvinyltriazolo[3,4-b]-1,3,4-thiadiazole[J].Chinese Journal of Structural Chemistry,2000,19(5).
Authors:CHEN Han Song LI Zheng Ming\  YANG Xiao Ping
Institution:1. Institute of Elemento-Organic Chemistry, Nankai University, Tianjin 300071
2. Central Laboratory, Nankai University, Tianjin 300071
Abstract:The crystal structure of the title compound 3-(4-Chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)-6- (E) phenylvinyltriazolo 3, 4-b ]-1, 3, 4-thiadiazole ( C17 H15ClN6S, Mr = 370.87) was determined by single crystal X-ray diffraction. The crystal ismonoclinic, space group P21/n, a = 10.862(2), b = 11.541(2), c = 14.994(3) A,β=108.41(3)°, V=1783(1) A, Z=4, Dx =1.381g/cm-3, μ=0.3361 mm-1, andF(000) = 768. The results confirmed that the title compound belongs to type E of ste-reochemistry. The dihedral angle between triazole and 1, 3, 4-thiadiaole ring is 3° andthe torsion angle between 1,3, 4-thiadiazole and pyrazole ring is 134.0°.
Keywords:crystal structure  pyrazole  triazole[3  4  b]  1  3  4  thiadiazole  fungicidal activity
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