Febuxostat methanol solvate

In the title compound {systematic name: [2-(3-cyano-4-isobutyl­oxyphen­yl)-4-methyl-1,3-thia­zole-5-carb­oxy­lic acid (febuxostat) methanol monosolvate}, C(16)H(16)N(2)O(3)S·CH(4)O, the benzene and thia­zole rings in the febuxostat mol­ecule are twisted at 5.3 (1)°. In the crystal structure, inter­m...

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Autores principales: Jiang, Qi-Ying, Qian, Jing-Jing, Gu, Jian-Ming, Tang, Gu-Ping, Hu, Xiu-Rong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089318/
https://www.ncbi.nlm.nih.gov/pubmed/21754528
http://dx.doi.org/10.1107/S1600536811014905
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author Jiang, Qi-Ying
Qian, Jing-Jing
Gu, Jian-Ming
Tang, Gu-Ping
Hu, Xiu-Rong
author_facet Jiang, Qi-Ying
Qian, Jing-Jing
Gu, Jian-Ming
Tang, Gu-Ping
Hu, Xiu-Rong
author_sort Jiang, Qi-Ying
collection PubMed
description In the title compound {systematic name: [2-(3-cyano-4-isobutyl­oxyphen­yl)-4-methyl-1,3-thia­zole-5-carb­oxy­lic acid (febuxostat) methanol monosolvate}, C(16)H(16)N(2)O(3)S·CH(4)O, the benzene and thia­zole rings in the febuxostat mol­ecule are twisted at 5.3 (1)°. In the crystal structure, inter­molecular O—H⋯O and O—H⋯N hydrogen bonds link the febuxostat and methanol mol­ecules into helical chains along the 2(1) screw axis.
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spelling pubmed-30893182011-07-13 Febuxostat methanol solvate Jiang, Qi-Ying Qian, Jing-Jing Gu, Jian-Ming Tang, Gu-Ping Hu, Xiu-Rong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound {systematic name: [2-(3-cyano-4-isobutyl­oxyphen­yl)-4-methyl-1,3-thia­zole-5-carb­oxy­lic acid (febuxostat) methanol monosolvate}, C(16)H(16)N(2)O(3)S·CH(4)O, the benzene and thia­zole rings in the febuxostat mol­ecule are twisted at 5.3 (1)°. In the crystal structure, inter­molecular O—H⋯O and O—H⋯N hydrogen bonds link the febuxostat and methanol mol­ecules into helical chains along the 2(1) screw axis. International Union of Crystallography 2011-04-29 /pmc/articles/PMC3089318/ /pubmed/21754528 http://dx.doi.org/10.1107/S1600536811014905 Text en © Jiang 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
Jiang, Qi-Ying
Qian, Jing-Jing
Gu, Jian-Ming
Tang, Gu-Ping
Hu, Xiu-Rong
Febuxostat methanol solvate
title Febuxostat methanol solvate
title_full Febuxostat methanol solvate
title_fullStr Febuxostat methanol solvate
title_full_unstemmed Febuxostat methanol solvate
title_short Febuxostat methanol solvate
title_sort febuxostat methanol solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089318/
https://www.ncbi.nlm.nih.gov/pubmed/21754528
http://dx.doi.org/10.1107/S1600536811014905
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AT qianjingjing febuxostatmethanolsolvate
AT gujianming febuxostatmethanolsolvate
AT tangguping febuxostatmethanolsolvate
AT huxiurong febuxostatmethanolsolvate

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