Vinayagam V, Mohan Raj J, Murugavel S, Selvakumar R, Bakthadoss M
Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai 600 025, India.
Department of Physics, C. Abdul Hakeem College of Engineering & Technology, Melvisharam, Vellore 632 509, India.
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o21-2. doi: 10.1107/S2056989014026267.
In the title compound, C17H15NO2S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thia-zepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link inverted-related mol-ecules into dimers, incorporating R 1 (2)(6) and R 2 (2)(8) ring motifs; the acceptor carbonyl O atom is bifurcated. These dimers are further linked by C-H⋯O hydrogen bonds, forming supra-molecular tapes running along the a axis.
在标题化合物C₁₇H₁₅NO₂S中，连接七元硫氮杂环庚烷环的硫原子和羰基碳原子的两个碳原子在两个位置上无序排列，占有率分别为0.511 (4)和0.489 (4)；两种无序组分均采用扭曲的扭船构象。在晶体中，N-H⋯O和C-H⋯O氢键将反向相关的分子连接成二聚体，包含R 1 (2)(6)和R 2 (2)(8)环模式；受体羰基O原子发生分叉。这些二聚体通过C-H⋯O氢键进一步连接，形成沿a轴延伸的超分子带。
