Synthesis, Crystal Structure and Biological Activity of a New 1,2,4-Triazole Derivative  

作　　者：童建颖 武宏科 孙娜波 刘幸海 

机构地区：[1]College of Biology and Environmental Engineering,Zhejiang Shuren University [2]College of Chemical Engineering and Materials Science,Zhejiang University of Technology

出　　处：《Chinese Journal of Structural Chemistry》2013年第4期607-611,共5页结构化学（英文）

基　　金：Supported by the National Natural Science Foundation of China(No.21002090);the Key Innovation Team of Science and Technology in Zhejiang Province(2010R50018-06);the National Key Technologies R&D Program(2011BAE06B03-01)

摘　　要：A new 1,2,4-triazole containing cyclopropane moiety was synthesized and characterized by 1H NMR, MS and elemental analyses. The crystal structure of the title compound （C13H14FN3S, Mr= 263.33） has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 12.614（3）, b = 7.0202（14）, c = 15.556（3）A, β = 110.92（3）°, V = 1286.7（4） A3, Z = 4, F（000） = 552, D,. = 1.359 g/cm3,μ = 0.25 mm-1, the final R = 0.0336 and wR = 0.0898 for 2568 observed reflections with 1 〉 2σ（/）. A total of 10093 reflections were collected, of which 3045 were independent （Rint = 0.0268）. The herbicidal activity of the title compound was determined, and this compound displays excellent herbicidal activity against Brassica campestris.A new 1,2,4-triazole containing cyclopropane moiety was synthesized and characterized by 1H NMR, MS and elemental analyses. The crystal structure of the title compound （C13H14FN3S, Mr= 263.33） has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 12.614（3）, b = 7.0202（14）, c = 15.556（3）A, β = 110.92（3）°, V = 1286.7（4） A3, Z = 4, F（000） = 552, D,. = 1.359 g/cm3,μ = 0.25 mm-1, the final R = 0.0336 and wR = 0.0898 for 2568 observed reflections with 1 〉 2σ（/）. A total of 10093 reflections were collected, of which 3045 were independent （Rint = 0.0268）. The herbicidal activity of the title compound was determined, and this compound displays excellent herbicidal activity against Brassica campestris.

关 键 词：1 2 4-TRIAZOLE CYCLOPROPANE herbicidal activity SYNTHESIS 

分 类 号：O626[理学—有机化学]