Akkurt Mehmet, Celik Ismail, Demir Hale, Ozkırımlı Sumru, Büyükgüngör Orhan
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):o1691-2. doi: 10.1107/S1600536810022506.
In the title compound, C(15)H(12)BrN(3)O(2)S, the dihedral angle between the pyridine and benzene rings is 73.17 (19)°. The five-membered 1,3-thia-zolidine ring has an envelope conformation, with the S atom displaced by 0.196 (1) Å from the mean plane of the four other ring atoms. An intra-molecular C-H⋯N inter-action occurs. The crystal structure is stabil-ized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds and C-H⋯π inter-actions. In addition, a weak π-π stacking inter-action is also observed between the 1,3-thia-zolidine and pyridine rings [centroid-centroid distance = 3.805 (2) Å].
在标题化合物C₁₅H₁₂BrN₃O₂S中,吡啶环和苯环之间的二面角为73.17 (19)°。五元1,3-噻唑烷环具有信封式构象,硫原子偏离其他四个环原子的平均平面0.196 (1) Å。分子内存在C—H⋯N相互作用。晶体结构通过分子间N—H⋯O和C—H⋯O氢键以及C—H⋯π相互作用得以稳定。此外,在1,3-噻唑烷环和吡啶环之间还观察到弱的π-π堆积相互作用[质心-质心距离 = 3.805 (2) Å]。