Venugopala K N, Nayak Susanta K, Govender Thavendran, Kruger Hendrik G, Maguire Glenn E M
School of Pharmacy and Pharmacology, University of KwaZulu-Natal, Durban 4000, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):o1007-8. doi: 10.1107/S1600536813014621. eCollection 2013.
The asymmetric unit of the title compound, C21H13ClFNO2S, contains two independent mol-ecules with similar conformations. In the mol-ecules, the thia-zole ring is essentially planar [maximum atomic deviations = 0.014 (4) and 0.023 (5) Å] and is oriented with respect to the fluoro-phenyl ring and chloro-phenyl rings at 9.96 (18) and 70.39 (18)° in one mol-ecule and at 7.50 (18) and 68.43 (18)° in the other; the dihedral angles between the fluoro-phenyl and chloro-phenyl rings are 64.9 (2) and 64.6 (2)°, respectively. Inter-molecular C-H⋯O and C-H⋯F hydrogen bonds stabilize the three-dimensional supra-molecular architecture. Weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.877 (3) Å] lead to a criss-cross mol-ecular packing along the c axis.
标题化合物C21H13ClFNO2S的不对称单元包含两个构象相似的独立分子。在这些分子中，噻唑环基本呈平面状[最大原子偏差 = 0.014 (4) 和0.023 (5) Å]，在一个分子中相对于氟苯环和氯苯环的取向角度分别为9.96 (18)°和70.39 (18)°，在另一个分子中为7.50 (18)°和68.43 (18)°；氟苯环和氯苯环之间的二面角分别为64.9 (2)°和64.6 (2)°。分子间的C-H⋯O和C-H⋯F氢键稳定了三维超分子结构。弱的C-H⋯π和π-π相互作用[质心-质心距离 = 3.877 (3) Å]导致沿c轴的交叉分子堆积。
