| Synthesis and Crystal Structure of N-（1,3,4-Thiadiazol-2-yl）-1-[ 1-（6-chloropyridin-3- yl）methy]-5-methyl-lH-[1,2,3]triazol-4-carboxamide |
| |
| 作者姓名： | CHEN Xiao-Bao LI Ke SHI De-Qing |
| |
| 作者单位： | Key Laboratory of Pesticide and Chemical Biology of Ministry of Education of China, College of Chemistry, Central China Normal University, Wuhan 430079, China |
| |
| 基金项目： | The project was supported by NNSFC （20302002） and the Foundation for the Returned Overseas Chinese Scholars （No. [2007] 1108） |
| |
| 摘 要： | The crystal structure of the title compound （C12H10ClN7OS, Mr= 335.78） has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group Pi with a = 8.4093（11）, b = 9.4430（12）, c = 11.1454（14） A, α = 95.508（2）, β = 111.366（2）, γ = 115.259（2）°, V = 711.42（16） A3, Z = 2, Dc = 1.568 g/cm3, F（000） = 344, μ（MoKα） = 0.428 mm-1, the final R = 0.0476 and wR = 0.1243 for 2353 observed reflections （I 〉 2o（/））. The dihedral angles between the pyridine and triazole, thiazole and triazole, and pyridine and thiazole rings are 69.2（1）, 9.2（1） and 72.7（1）°, respectively. Intramolecular C（8）--H（8B）...O（1） and N（5）-H（5A）..-N（4） as well as intermolecular C（5）-H（5）...S（1）, C（3）-H（3）.,.N（6） and N（5）-H（5A）...N（1） hydrogen bonds together with weak C-H...Ir hydrogen-bonding and π-π stacking interactions contribute to the stability of the structure. There is also evidence for significant electron delocalization in the triazolyl system.
|
| 关 键 词： | 晶体结构 合成方法 化学分析 氨甲酰 |
Synthesis and Crystal Structure of N-（1,3,4-Thiadiazol-2-yl）-1-[ 1-（6-chloropyridin-3- yl）methy]-5-methyl-lH-[1,2,3]triazol-4-carboxamide |
| |
| CHEN Xiao-Bao LI Ke SHI De-Qing.Synthesis and Crystal Structure of N-（1,3,4-Thiadiazol-2-yl）-1-[ 1-（6-chloropyridin-3- yl）methy]-5-methyl-lH-[1,2,3]triazol-4-carboxamide[J].Chinese Journal of Structural Chemistry,2008,27(11):1389-1392. |
| |
| Authors: | CHEN Xiao-Bao LI Ke SHI De-Qing |
| |
| Institution: | Key Laboratory of Pesticide and Chemical Biology of Ministry of Education of China, College of Chemistry, Central China Normal University, Wuhan 430079, China |
| |
| Abstract: | crystal structure, synthesis, carboxamide herbicide |
| |
| Keywords: | crystal structure synthesis carboxamide herbicide |
| 本文献已被 维普 等数据库收录！ |
|
