Sivakumar Nithya, Viswanathan Vijayan, Rao Jonnalagadda Naga Siva, Raghunathan Raghavachary, Velmurugan Devadasan
Mission San Jose High School, Palm AVE, Fremont, CA 94539, USA.
Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 20;70(Pt 10):o1111-2. doi: 10.1107/S1600536814020601. eCollection 2014 Oct 1.
In the title compound, C33H23ClN4O3S·CHCl3, the thia-zole ring adopts an envelope conformation with the N atom as the flap, and the pyrrolidine ring adopts a half-chair conformation. The thia-zole ring mean plane makes a dihedral angle of 59.31 (1)° with the pyrrolidine ring mean plane, 71.67 (1)° with the chromene ring and 82.59 (1)° with the chloro-benzene ring. An intra-molecular C-H⋯N hydrogen bond occurs. In the crystal, a second C-H⋯N hydrogen bond links the main and solvent mol-ecules. The solvent chloroform molecule is disordered about two positions with an occupancy ratio of 0.508 (14):0.492 (14).
在标题化合物C33H23ClN4O3S·CHCl3中，噻唑环呈信封构象，以N原子为折边，吡咯烷环呈半椅式构象。噻唑环平均平面与吡咯烷环平均平面的二面角为59.31 (1)°，与色烯环为71.67 (1)°，与氯苯环为82.59 (1)°。存在分子内C—H⋯N氢键。在晶体中，第二个C—H⋯N氢键连接主分子和溶剂分子。溶剂氯仿分子在两个位置上无序，占有率为0.508 (14):0.492 (14)。
