Synthesis and Crystal Structure of Methyl 2-(Diphenylamino)-4-phenyl-1,3-thiazole-5-carboxylate

作     者：Ali Souldozi Seyed Hamid Reza Shojaei Ali Ramazani Katarzyna lepokura Tadeusz Lis 

作者机构：Department of Chemistry Urmia Branch Islamic Azad University P. O. Box 969 Urmia Iran Department of Physics Urmia Branch Islamic Azad University P. O. Box 969 Urmia Iran Department of Chemistry Zanjan Branch Islamic Azad University P. O. Box 49195-467 Zanjan Iran Faculty of Chemistry University of Wroclaw 14 Joliot-Curie St. 50-383 Wroclaw Poland 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2013年第32卷第1期

页      面：82-88页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：supported by Urmia Branch Islamic Azad University 

主　　题：single-crystal X-ray structure multi-component reaction methyl 2-(diphenylamino)-4-phenyl-1 3-thiazole-5-carboxylate benzoyl isothiocyanate diphenylamine dimethyl acetylenedicarboxylate 

摘      要：The title compound, methyl 2-（diphenylamino）-4-phenyl-1,3-thiazole-5-carboxylate, was synthesized and studied by single-crystal X-ray diffraction method. The structure of the product was confirmed by IR, 1H- and 13C-NMR spectroscopy and elemental analysis. These experimental studies were supported by quantum mechanical calculations. The structure was solved in monoclinic, space group P21/c with a = 9.573（3）, b = 19.533（7）, c = 9.876（3）, β = 92.35（4）°, V = 1845.2（10）3, T = 85（2） K, Z = 4, R = 0.040 and wR = 0.089 for 6424 observed reflections with I2σ（I）.