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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...

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Detalles Bibliográficos
Autores principales: Zhu, Xiong, Wang, Yue, Lu, Tao
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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