Savithri M P, Suresh M, Raghunathan R, Raja R, SubbiahPandi A
Department of Physics, Queen Mary's College (Autonomous), Chennai 600 004, India.
Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.
Acta Crystallogr E Crystallogr Commun. 2015 Feb 7;71(Pt 3):o148-9. doi: 10.1107/S2056989015002030. eCollection 2015 Mar 1.
In the title compound, C23H20N2O4S2, the central pyrrolidine ring adopts an envelope conformation with the spiro C atom, shared with the benzo-thio-phene ring system, as the flap. The thia-zole ring has a twisted conformation on the S-C bond, where the C atom is that closest to methine C atom. The mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the central pyrrolidine ring by 82.75 (8) and 80.03 (8)°, respectively, and to each other by 61.49 (6)°. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯O and C-H⋯N hydrogen bonds, forming a three-dimensional structure. The eth-oxy-carbonyl group is disordered over two orientations, with an occupancy ratio of 0.717 (12):0.283 (12).
在标题化合物C₂₃H₂₀N₂O₄S₂中，中心吡咯烷环呈信封式构象，与苯并噻吩环系统共用的螺碳原子作为折叶。噻唑环在S-C键上具有扭曲构象，其中该C原子是最靠近次甲基C原子的。苯并噻吩和吲哚啉环系统的平均平面分别与中心吡咯烷环的平均平面倾斜82.75 (8)°和80.03 (8)°，且它们彼此之间倾斜61.49 (6)°。在晶体中，分子通过N-H⋯O氢键对相连，形成具有R 2 (2)(8)环模式的反演二聚体。这些二聚体通过C-H⋯O和C-H⋯N氢键相连，形成三维结构。乙氧羰基在两个取向上无序，占有率比为0.717 (12):0.283 (12)。
