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2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate
In the title compound, C(16)H(16)N(2)O(3)S·C(5)H(5)N, the benzene and thiazole rings of the Febuxostat [2-(3-cyano-4-isobutyloxy)phenyl-4-methyl-5-thiazolecarboxylic acid] molecule are almost coplanar [dihedral angle = 2.4 (1)°]. The carboxyl group is coplanar with the thiazole ring [O—C—C—C an...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971045/ https://www.ncbi.nlm.nih.gov/pubmed/21578222 http://dx.doi.org/10.1107/S1600536809039002 |
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author | Zhu, Xiong Wang, Yue Lu, Tao |
author_facet | Zhu, Xiong Wang, Yue Lu, Tao |
author_sort | Zhu, Xiong |
collection | PubMed |
description | In the title compound, C(16)H(16)N(2)O(3)S·C(5)H(5)N, the benzene and thiazole rings of the Febuxostat [2-(3-cyano-4-isobutyloxy)phenyl-4-methyl-5-thiazolecarboxylic acid] molecule are almost coplanar [dihedral angle = 2.4 (1)°]. The carboxyl group is coplanar with the thiazole ring [O—C—C—C and O—C—C—S torsion angles of −0.7 (4) and 0.6 (3)°, respectively]. The pyridine molecule of crystallization is linked to the Febuxostat molecule through an O—H⋯N hydrogen bond. A weak π–π stacking interaction is observed between the benzene ring of the Febuxostat molecule and pyridine molecule, with a centroid–centroid distance of 3.7530 (18) Å. |
format | Text |
id | pubmed-2971045 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29710452010-12-30 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate Zhu, Xiong Wang, Yue Lu, Tao Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(16)N(2)O(3)S·C(5)H(5)N, the benzene and thiazole rings of the Febuxostat [2-(3-cyano-4-isobutyloxy)phenyl-4-methyl-5-thiazolecarboxylic acid] molecule are almost coplanar [dihedral angle = 2.4 (1)°]. The carboxyl group is coplanar with the thiazole ring [O—C—C—C and O—C—C—S torsion angles of −0.7 (4) and 0.6 (3)°, respectively]. The pyridine molecule of crystallization is linked to the Febuxostat molecule through an O—H⋯N hydrogen bond. A weak π–π stacking interaction is observed between the benzene ring of the Febuxostat molecule and pyridine molecule, with a centroid–centroid distance of 3.7530 (18) Å. International Union of Crystallography 2009-10-03 /pmc/articles/PMC2971045/ /pubmed/21578222 http://dx.doi.org/10.1107/S1600536809039002 Text en © Zhu et al. 2009 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 Zhu, Xiong Wang, Yue Lu, Tao 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate |
title | 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate |
title_full | 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate |
title_fullStr | 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate |
title_full_unstemmed | 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate |
title_short | 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate |
title_sort | 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid pyridine solvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971045/ https://www.ncbi.nlm.nih.gov/pubmed/21578222 http://dx.doi.org/10.1107/S1600536809039002 |
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