Synthesis and Crystal Structure of Ethyl (2-Amino-4-(2-chlorophenyl)-4H-benzo-[h]-chromene-2-yl) Formate

作     者：Wang XIangshan Shi Daqing Tu Shujiang Yao Changsheng WANG Xiang-Shan;SHI Da-Qing;TU Shu-Jiang;YAO Chang-sheng

作者机构：Department of ChemistryXuzhou Normal UniversityXuzhou 221116China Key Laboratory of Biotechnology on Medical PlantXuzhouJiangsu 221116China 

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

年 卷 期：2004年第23卷第3期

页      面：278-281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：This work was supported by the Foundation of the Surpassing Project of Jiangsu province (No. QL98001) 

主　　题：crystal structure, 4H benzo [h] chromene, synthesis 

摘      要：The title compound ethyl (2-amino-4-(2-chlorophenyl)-4H-benzo-[h]-chromene-2-yl) formate (C22H18ClNO3, Mr = 379.82) was synthesized and characterized by X-ray single-crystal diffraction analysis. The crystal belongs to monoclinic, space group C2/c with a = 25.168(4), b = 9.584(1), c = 16.503(3) ? b = 111.14(1), Z = 8, V = 3713(1) 3, Dc = 1.359 g/cm3, m(MoKa) = 0.228 mm-1, F(000) = 1584, R = 0.0565 and wR = 0.1320 for 1749 observed reflections (I 2s(I)). X-ray analysis reveals that the C(1), C(2), C(3), C(4), C(5) and O(1) atoms form a six-membered ring which adopts a boat conformation. In this ring, the bond distances of C(1)C(2) and C(4)C(5) are 1.356(4) and 1.357(4) ? respectively, indicating they are C=C double bonds. In addition, there exist intra- and intermolecular hydrogen bonds in the crystal structure.