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

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?? inter-actions. In addition, a weak ?-? stacking inter-action is also observed between the 1,3-thia-zolidine and pyridine rings [centroid-centroid distance = 3.805?(2)?Å].

SUBMITTER: Akkurt M

PROVIDER: S-EPMC3006680 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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

Akkurt Mehmet M Celik Ismail I Demir Hale H Ozkırımlı Sumru S Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20100618 Pt 7

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 observ ...[more]

PMID: 21587914

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