Febuxostat ethanol monosolvate

The title compound, 2-(3-cyano-4-iso­but­oxyphen­yl)-4-methyl-1,3-thia­zole-5-car­b­oxy­lic acid ethanol monosolvate, C(16)H(16)N(2)O(3)S·C(2)H(6)O, (I), displays inter­molecular O—H⋯O and O—H⋯N bonds in which the carboxyl group of the febuxostat mol­ecule and the hydroxyl group of the ethanol mol­e...

Descripción completa

Detalles Bibliográficos
Autores principales: Gelbrich, Thomas, Kahlenberg, Volker, Adamer, Verena, Nerdinger, Sven, Griesser, Ulrich J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273979/
https://www.ncbi.nlm.nih.gov/pubmed/32523746
http://dx.doi.org/10.1107/S2056989020006076
_version_ 1783542500626006016
author Gelbrich, Thomas
Kahlenberg, Volker
Adamer, Verena
Nerdinger, Sven
Griesser, Ulrich J.
author_facet Gelbrich, Thomas
Kahlenberg, Volker
Adamer, Verena
Nerdinger, Sven
Griesser, Ulrich J.
author_sort Gelbrich, Thomas
collection PubMed
description The title compound, 2-(3-cyano-4-iso­but­oxyphen­yl)-4-methyl-1,3-thia­zole-5-car­b­oxy­lic acid ethanol monosolvate, C(16)H(16)N(2)O(3)S·C(2)H(6)O, (I), displays inter­molecular O—H⋯O and O—H⋯N bonds in which the carboxyl group of the febuxostat mol­ecule and the hydroxyl group of the ethanol mol­ecule serve as hydrogen-bond donor sites. These inter­actions result in a helical hydrogen-bonded chain structure. The title structure is isostructural with a previously reported methanol analogue.
format Online
Article
Text
id pubmed-7273979
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-72739792020-06-09 Febuxostat ethanol monosolvate Gelbrich, Thomas Kahlenberg, Volker Adamer, Verena Nerdinger, Sven Griesser, Ulrich J. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, 2-(3-cyano-4-iso­but­oxyphen­yl)-4-methyl-1,3-thia­zole-5-car­b­oxy­lic acid ethanol monosolvate, C(16)H(16)N(2)O(3)S·C(2)H(6)O, (I), displays inter­molecular O—H⋯O and O—H⋯N bonds in which the carboxyl group of the febuxostat mol­ecule and the hydroxyl group of the ethanol mol­ecule serve as hydrogen-bond donor sites. These inter­actions result in a helical hydrogen-bonded chain structure. The title structure is isostructural with a previously reported methanol analogue. International Union of Crystallography 2020-05-12 /pmc/articles/PMC7273979/ /pubmed/32523746 http://dx.doi.org/10.1107/S2056989020006076 Text en © Gelbrich et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Gelbrich, Thomas
Kahlenberg, Volker
Adamer, Verena
Nerdinger, Sven
Griesser, Ulrich J.
Febuxostat ethanol monosolvate
title Febuxostat ethanol monosolvate
title_full Febuxostat ethanol monosolvate
title_fullStr Febuxostat ethanol monosolvate
title_full_unstemmed Febuxostat ethanol monosolvate
title_short Febuxostat ethanol monosolvate
title_sort febuxostat ethanol monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273979/
https://www.ncbi.nlm.nih.gov/pubmed/32523746
http://dx.doi.org/10.1107/S2056989020006076
work_keys_str_mv AT gelbrichthomas febuxostatethanolmonosolvate
AT kahlenbergvolker febuxostatethanolmonosolvate
AT adamerverena febuxostatethanolmonosolvate
AT nerdingersven febuxostatethanolmonosolvate
AT griesserulrichj febuxostatethanolmonosolvate

Ejemplares similares