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N-[5-Methyl-2-(2-nitro­phen­yl)-4-oxo-1,3-thia­zolidin-3-yl]pyridine-3-carboxamide monohydrate

By Mehmet Akkurt, Ísmail Çelik, Hale Demir, Sumru Özkırımlı and Orhan Büyükgüngör

Abstract

In the title compound, C16H14N4O4S·H2O, the benzene and pyridine rings make a dihedral angle of 85.8 (1)°. Both enanti­omers of the chiral title compound are statistically disordered over the same position in the unit cell. The methyl and carbonyl group attached to the stereogenic center (C5 of the thia­zolidine ring) were therefore refined with common site-occupation factors of 0.531 (9) and 0.469 (9), respectively, for each stereoisomer. In the crystal, inter­molecular N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds link the mol­ecules, forming a three-dimensional supra­molecular network. The crystal structure further shows π–π stacking inter­actions [centroid–centroid distance = 3.5063 (13) Å] between the pyridine rings

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3051725
Provided by: PubMed Central

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Citations

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  2. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq Occ.
  3. Only the S-enantiomers are shown. N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3- carboxamide monohydrate Crystal data
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