Akkurt Mehmet, Celik Ismail, Demir Hale, Ozkırımlı Sumru, Büyükgüngör Orhan
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o745-6. doi: 10.1107/S1600536811007136. Epub 2011 Mar 2.
The title compound, C(16)H(14)ClN(3)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. In the 1,3-thia-zolidine rings, the carbonyl O atoms, the S atoms, the methyl groups and the ring carbon attached to the methyl groups are disordered with occupancy ratios of 0.509 (7):0.491 (7) in one mol-ecule and 0.464 (14):0.536 (14) in the other. The crystal structure is stabilized by inter-molecular N-H⋯N, C-H⋯O hydrogen bonds and C-H⋯Cl inter-actions. In addition, there is a π-π stacking inter-action [centroid-centroid distance = 3.794 (3) Å] between the benzene and pyridine rings.
标题化合物C(16)H(14)ClN(3)O(2)S在不对称单元中含有两个分子。在1,3-噻唑烷环中，一个分子中羰基O原子、S原子、甲基以及连接甲基的环碳的占有率为0.509 (7):0.491 (7)，另一个分子中为0.464 (14):0.536 (14)。晶体结构通过分子间N-H⋯N、C-H⋯O氢键和C-H⋯Cl相互作用得以稳定。此外，苯环和吡啶环之间存在π-π堆积相互作用[质心-质心距离 = 3.794 (3) Å]。
