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N-[2-(4-Bromo-phen-yl)-5-methyl-4-oxo-1,3-thia-zolidin-3-yl]pyridine-3-carboxamide.

ABSTRACT: In the title compound, C(16)H(14)BrN(3)O(2)S, the atoms of the 1,3-thia-zolidine group, except for the N and the C atoms attached to the bromo-benzene ring, are disordered over two sets of sites with occupancies of 0.605?(13) and 0.395?(13). The benzene and pyridine rings make a dihedral angle of 86.2?(2)°. In the crystal, mol-ecules are linked by inter-molecular N-H?N and C-H?O hydrogen bonds, forming a three-dimensional network. Furthermore, there is a ?-? stacking inter-action [centroid-centroid distance = 3.758?(2)?Å] between the pyridine and benzene rings.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC3100075 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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N-[2-(4-Bromo-phen-yl)-5-methyl-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 20110319 Pt 4

In the title compound, C(16)H(14)BrN(3)O(2)S, the atoms of the 1,3-thia-zolidine group, except for the N and the C atoms attached to the bromo-benzene ring, are disordered over two sets of sites with occupancies of 0.605 (13) and 0.395 (13). The benzene and pyridine rings make a dihedral angle of 86.2 (2)°. In the crystal, mol-ecules are linked by inter-molecular N-H⋯N and C-H⋯O hydrogen bonds, forming a three-dimensional network. Furthermore, there is a π-π stacking inter-action [centroid-centr ...[more]

PMID: 21754186

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

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