Karthikeyan S, Narayanan P, Sethusankar K, Devaraj Anthonisamy, Bakthadoss Manickam
Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India.
Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai 600 025, India.
Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 28;70(Pt 3):o377-8. doi: 10.1107/S1600536814004073. eCollection 2014 Mar 1.
In the title solvate, C29H30N2O3·CHCl3, the dihedral angle between the indole ring system (r.m.s. deviation = 0.050 Å) and the 4-methyl-pyrrolidine ring is 88.88 (8)°. The latter ring adopts an envelope conformation with the N atom as the flap. Its mean plane makes dihedral angles of 86.94 (11) and 42.08 (9)° with the phenyl and di-methyl-benzene rings, respectively. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O hydrogen bonds, which generate S(6) and S(9) ring motifs. The chloro-form solvent mol-ecule is linked to the organic mol-ecule by a C-H⋯O hydrogen bond involving the carbonyl O atom of the carboxyl-ate group. In the crystal, mol-ecules are linked via bifurcated N-H⋯(N,O) and C-H⋯O hydrogen bonds, forming chains propagating along [001].
在标题溶剂化物C29H30N2O3·CHCl3中，吲哚环系统（均方根偏差 = 0.050 Å）与4-甲基吡咯烷环之间的二面角为88.88 (8)°。后一个环呈信封构象，以N原子为瓣。其平均平面与苯环和二甲基苯环的二面角分别为86.94 (11)°和42.08 (9)°。分子构象通过分子内C—H⋯O氢键得以稳定，这些氢键形成了S(6)和S(9)环基序。氯仿溶剂分子通过涉及羧酸盐基团羰基O原子的C—H⋯O氢键与有机分子相连。在晶体中，分子通过分叉的N—H⋯(N,O)和C—H⋯O氢键相连，形成沿[001]方向延伸的链。
