Synthesis, Structure and Biological Activity of 5-Benzyl-4-amino-1,2,4-triazole-3-thione Schiff Base  

作　　者：靳如意 孙晓红 刘源发 陈邦 沈生强 马海霞 

机构地区：[1]School of Chemical Engineering, Northwest University [2]Chemical Research Institute, Northwest University [3]College of Chemistry & Materials Science, Northwest University

出　　处：《Chinese Journal of Structural Chemistry》2014年第2期253-257,共5页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21073141);the Shaanxi Provincial Education Department Foundation(No.2013JK0666)

摘　　要：A novel Schiff base was synthesized via 5-benzyl-4-amino-1,2,4-triazole-3-thione with 3-phenoxy-benzaldehyde under refluxing. The structure was characterized by elemental analysis, IR, 1H NMR, ESI-MS and single-crystal X-ray diffraction. This compound crystallizes in monoclinic, space group P21 /c with a = 16.0289（16）, b = 5.8022（6）, c = 20.542（2）, β = 95.667（2）o, C22 H18 N4 OS, Mr = 386.46, V = 1901.1（3）3, Z = 4, Dc = 1.347 g/cm3, F（000） = 804, μ = 0.191 mm-1, the final R = 0.0453 and wR = 0.1307 for 2456 observed reflections with I 〉 2σ（I）. The crystal packing of the compound is stabilized by classical intermolecular N–H…S hydrogen bonds. Furthermore, the biological activity to four vegetable pathogens has been tested. The title compound exhibited good fungicidal activities to Gibberlla nicotiancola.A novel Schiff base was synthesized via 5-benzyl-4-amino-1,2,4-triazole-3-thione with 3-phenoxy-benzaldehyde under refluxing. The structure was characterized by elemental analysis, IR, 1H NMR, ESI-MS and single-crystal X-ray diffraction. This compound crystallizes in monoclinic, space group P21 /c with a = 16.0289（16）, b = 5.8022（6）, c = 20.542（2）, β = 95.667（2）o, C22 H18 N4 OS, Mr = 386.46, V = 1901.1（3）3, Z = 4, Dc = 1.347 g/cm3, F（000） = 804, μ = 0.191 mm-1, the final R = 0.0453 and wR = 0.1307 for 2456 observed reflections with I 〉 2σ（I）. The crystal packing of the compound is stabilized by classical intermolecular N–H…S hydrogen bonds. Furthermore, the biological activity to four vegetable pathogens has been tested. The title compound exhibited good fungicidal activities to Gibberlla nicotiancola.

关 键 词：Schiff base STRUCTURE 1 2 4-TRIAZOLE biological activity 

分 类 号：O621.13[理学—有机化学]