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N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate
In the title compound, C(16)H(14)N(4)O(4)S·H(2)O, 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 (...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051725/ https://www.ncbi.nlm.nih.gov/pubmed/21522985 http://dx.doi.org/10.1107/S1600536811000481 |
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author | Akkurt, Mehmet Çelik, Ísmail Demir, Hale Özkırımlı, Sumru Büyükgüngör, Orhan |
author_facet | Akkurt, Mehmet Çelik, Ísmail Demir, Hale Özkırımlı, Sumru Büyükgüngör, Orhan |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | In the title compound, C(16)H(14)N(4)O(4)S·H(2)O, 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 (C(5) 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. |
format | Text |
id | pubmed-3051725 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30517252011-04-26 N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate Akkurt, Mehmet Çelik, Ísmail Demir, Hale Özkırımlı, Sumru Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(14)N(4)O(4)S·H(2)O, 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 (C(5) 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. International Union of Crystallography 2011-01-08 /pmc/articles/PMC3051725/ /pubmed/21522985 http://dx.doi.org/10.1107/S1600536811000481 Text en © Akkurt et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Akkurt, Mehmet Çelik, Ísmail Demir, Hale Özkırımlı, Sumru Büyükgüngör, Orhan N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate |
title |
N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate |
title_full |
N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate |
title_fullStr |
N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate |
title_full_unstemmed |
N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate |
title_short |
N-[5-Methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate |
title_sort | n-[5-methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051725/ https://www.ncbi.nlm.nih.gov/pubmed/21522985 http://dx.doi.org/10.1107/S1600536811000481 |
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