| Synthesis,Crystal Structure and Biological Activity of N-（2,6-Difluorobenzoyl）-N＇-[5-（4-trifluoromethyl-phenyl）-1,3,4-thiadiazol-2-yl]ure |
| |
| 引用本文： | 邵宇,杨平,李世荣,王发松,胡卫兵. Synthesis,Crystal Structure and Biological Activity of N-（2,6-Difluorobenzoyl）-N＇-[5-（4-trifluoromethyl-phenyl）-1,3,4-thiadiazol-2-yl]ure[J]. 结构化学, 2011, 0(6): 848-852 |
| |
| 作者姓名： | 邵宇 杨平 李世荣 王发松 胡卫兵 |
| |
| 作者单位： | Key Laboratory of Biological Resources Protection and Utilization of Hubei Province;School of Chemical and Environmental Engineering;Hubei University for Nationalities; |
| |
| 基金项目： | supported by the Natural Science Foundation of Hubei Province (No. 2008CDB016); the Research Project for Innovative Research Team of Hubei University for Nationalities |
| |
| 摘 要： | The title compound N-(2,6-difluorobenzoyl)-N'-[5-(4-trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl]urea(C17H9F5N4O2S,Mr = 428.34) has been synthesized by the reaction of 2-amino-5-(4-trifluoromethylphenyl)-1,3,4-thiadiazole with 2,6-difluorobenzoyl isocyanate,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/n with a = 10.7316(13),b = 10.5617(13),c = 16.037(2) ,β = 106.408(2)°,V = 1743.6(4) 3,Z = 4,Dc = 1.632 g/cm3,μ = 0.260 mm-1,F(000) = 864,the final R = 0.0599 and wR = 0.1420 for 3467 observed reflections with I > 2σ(I).The urea group,which adopts a planar configuration mediated by the intramolecular N-H...O hydrogen bond,is nearly coplanar with the thiadiazole and 4-trifluoromethylbenzene rings.The title compound was found to exhibit good fungicidal activity against Rhizoctonia solani and Botrytis cinerea.
|
| 关 键 词： | 三氟甲基 晶体结构 噻二唑 苯甲酰 酯合成 生物活性 二氟 甲基苯基 |
Synthesis,Crystal Structure and Biological Activity of N-(2,6-Difluorobenzoyl)-N'-[5-(4-trifluoromethyl-phenyl)-1,3,4-thiadiazol-2-yl]ure |
| |
| SHAO Yu,YANG Ping,LI Shi-Rong② WANG Fa-Song HU Wei-Bing. Synthesis,Crystal Structure and Biological Activity of N-(2,6-Difluorobenzoyl)-N'-[5-(4-trifluoromethyl-phenyl)-1,3,4-thiadiazol-2-yl]ure[J]. Chinese Journal of Structural Chemistry, 2011, 0(6): 848-852 |
| |
| Authors: | SHAO Yu YANG Ping LI Shi-Rong② WANG Fa-Song HU Wei-Bing |
| |
| Affiliation: | (Key Laboratory of Biological Resources Protection and Utilization of Hubei Province,School of Chemical and Environmental Engineering,Hubei University for Nationalities,Enshi 445000,China) |
| |
| Abstract: | The title compound N-(2,6-difluorobenzoyl)-N'-[5-(4-trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl]urea(C17H9F5N4O2S,Mr = 428.34) has been synthesized by the reaction of 2-amino-5-(4-trifluoromethylphenyl)-1,3,4-thiadiazole with 2,6-difluorobenzoyl isocyanate,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/n with a = 10.7316(13),b = 10.5617(13),c = 16.037(2) ,β = 106.408(2)°,V = 1743.6(4) 3,Z = 4,Dc = 1.632 g/cm3,μ = 0.260 mm-1,F(000) = 864,the final R = 0.0599 and wR = 0.1420 for 3467 observed reflections with I > 2σ(I).The urea group,which adopts a planar configuration mediated by the intramolecular N-H...O hydrogen bond,is nearly coplanar with the thiadiazole and 4-trifluoromethylbenzene rings.The title compound was found to exhibit good fungicidal activity against Rhizoctonia solani and Botrytis cinerea. |
| |
| Keywords: | 1 3 4-thiadiazole aroylurea synthesis crystal structure biological activity |
| 本文献已被 CNKI 维普 等数据库收录！ |
|
