Selvakumar R, Bakthadoss M, Vijayakumar S, Murugavel S
Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai 600 025, India.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 10;69(Pt 5):o693. doi: 10.1107/S1600536813009215. Print 2013 May 1.
In the title compound, C17H15NO2S, the thia-zepine ring adopts a slightly distorted twist-boat conformation. The dihedral angle between the mean plane of the benzo-thia-zepin ring system and the benzene ring is 65.7 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, generating R2 (2) (8) ring motifs. These dimers are further linked by C-H⋯π and π-π inter-actions [inter-centroid distance between the benzene rings of the benzo-thia-zepine unit = 3.656 (3) Å] into a three-dimensional supra-molecular network.
在标题化合物C₁₇H₁₅NO₂S中，硫氮杂环庚烷环呈轻微扭曲的扭船构象。苯并硫氮杂环庚烷环系的平均平面与苯环之间的二面角为65.7 (1)°。在晶体中，N-H⋯O氢键对将反演相关的分子连接成二聚体，形成R2 (2) (8)环模式。这些二聚体通过C-H⋯π和π-π相互作用[苯并硫氮杂环庚烷单元苯环之间的质心间距 = 3.656 (3) Å]进一步连接成三维超分子网络。
