Ahmad Matloob, Siddiqui Hamid Latif, Azam Muhammad, Siddiqui Waseeq Ahmad, Parvez Masood
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 19;65(Pt 9):o2185. doi: 10.1107/S1600536809030773.
IN THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(2-oxoprop-yl)-1,2-benzothia-zol-3(2H)-one 1,1-dioxide], C(10)H(9)NO(4)S, the benzo-thia-zole unit is essentially planar [maximum deviation = 0.0490 (9) Å for the S atom] and the oxopropyl group is inclined at an angle 75.61 (8)° with respect to its mean plane. In the crystal, mol-ecules are held together by weak inter-molecular C-H⋯O non-classical hydrogen bonds, resulting in centrosymmetric dimeric units, forming 14-membered ring systems which may be described as R(2) (2)(14) ring motifs. Moreover, mol-ecules lying about inversion centers show π-π inter-actions, with centroid-centroid separations between the benzene rings of 3.676 (2) Å.
在标题化合物[系统名称：2-(2-氧代丙基)-1,2-苯并噻唑-3(2H)-酮1,1-二氧化物]，C(10)H(9)NO(4)S中，苯并噻唑单元基本呈平面状[S原子的最大偏差 = 0.0490 (9) Å]，氧代丙基相对于其平均平面倾斜75.61 (8)°。在晶体中，分子通过弱的分子间C-H⋯O非经典氢键结合在一起，形成中心对称的二聚体单元，形成14元环系统，可描述为R(2)(2)(14)环基序。此外，位于对称中心的分子表现出π-π相互作用，苯环之间的质心间距为3.676 (2) Å。
