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N-[(2S)-2-(4-溴苯基)-4-氧代-1,3-噻唑烷-3-基]吡啶-3-甲酰胺

N-[(2S)-2-(4-Bromo-phen-yl)-4-oxo-1,3-thia-zolidin-3-yl]pyridine-3-carboxamide.

作者信息

Akkurt Mehmet, Celik Ismail, Demir Hale, Ozkırımlı Sumru, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):o1691-2. doi: 10.1107/S1600536810022506.

Abstract

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].

摘要

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]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b12/3006680/8c4d98d3bb3d/e-66-o1691-fig1.jpg

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