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 

机构地区：[1]Department of Chemistry, Urmia Branch, Islamic Azad University, P. O. Box 969, Urmia, Iran [2]Department of Physics, Urmia Branch, Islamic Azad University, P. O. Box 969, Urmia, Iran [3]Department of Chemistry, Zanjan Branch, Islamic Azad University, P. O. Box 49195-467, Zanjan, Iran [4]Faculty of Chemistry, University of Wroclaw, 14 Joliot-Curie St., 50-383 Wroclaw, Poland

出　　处：《Chinese Journal of Structural Chemistry》2013年第1期82-88,共7页结构化学（英文）

基　　金：supported by Urmia Branch,Islamic Azad University

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）.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）.

关 键 词：single-crystal X-ray structure multi-component reaction methyl 2-（diphenylamino）-4-phenyl-1 3-thiazole-5-carboxylate benzoyl isothiocyanate DIPHENYLAMINE dimethyl acetylenedicarboxylate 

分 类 号：O626.25[理学—有机化学]