Yousuf Sammer, Shah Shazia, Ambreen Nida, Khan Khalid M, Ahmad Shakil
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2877. doi: 10.1107/S1600536812037804. Epub 2012 Sep 8.
In the mol-ecule of the title compound, C(14)H(10)ClNO(2)S, the dihedral angle between the almost planar benzothia-zole ring system [maximum deviation = 0.005 (2) Å] and the benzene ring is 1.23 (9)°. The conformation of the mol-ecule is stabilized by an intra-molecular O-H⋯N hydrogen bond, forming an S(6) ring motif. In the crystal, mol-ecules are linked into layers parallel to the ac plane by C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.7365 (12) Å].
在标题化合物C₁₄H₁₀ClNO₂S的分子中，几乎呈平面状的苯并噻唑环系[最大偏差 = 0.005 (2) Å]与苯环之间的二面角为1.23 (9)°。分子构象通过分子内O—H⋯N氢键得以稳定，形成S(6)环模式。在晶体中，分子通过C—H⋯O氢键和π - π堆积相互作用[质心 - 质心距离 = 3.7365 (12) Å]连接成平行于ac平面的层。
