N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate

In the title compound, C(11)H(8)F(2)N(2)O(2)·0.5H(2)O, the dihedral angle between the benzene and isoxazole rings is 8.08 (3)°. In the crystal, the components are linked by O—H⋯N and N—H⋯O hydrogen bonds, in which the water mol­ecule acts as both a donor and an acceptor, into a tape with an R (4) (4...

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Autores principales: Yu, Jian-Guang, Zhu, Hai-Xi, Qiu, Jiang-Kai, Wang, De-Cai, Xu, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414190/
https://www.ncbi.nlm.nih.gov/pubmed/22904797
http://dx.doi.org/10.1107/S1600536812029431
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author Yu, Jian-Guang
Zhu, Hai-Xi
Qiu, Jiang-Kai
Wang, De-Cai
Xu, Hong
author_facet Yu, Jian-Guang
Zhu, Hai-Xi
Qiu, Jiang-Kai
Wang, De-Cai
Xu, Hong
author_sort Yu, Jian-Guang
collection PubMed
description In the title compound, C(11)H(8)F(2)N(2)O(2)·0.5H(2)O, the dihedral angle between the benzene and isoxazole rings is 8.08 (3)°. In the crystal, the components are linked by O—H⋯N and N—H⋯O hydrogen bonds, in which the water mol­ecule acts as both a donor and an acceptor, into a tape with an R (4) (4)(16) graph-set motif along the a axis. The water mol­ecule is located on a twofold rotation axis. The methyl H atoms were treated as disordered groups over two sites with a refined site-occupancy ratio of 0.48 (6):0.52 (6).
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spelling pubmed-34141902012-08-17 N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate Yu, Jian-Guang Zhu, Hai-Xi Qiu, Jiang-Kai Wang, De-Cai Xu, Hong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(8)F(2)N(2)O(2)·0.5H(2)O, the dihedral angle between the benzene and isoxazole rings is 8.08 (3)°. In the crystal, the components are linked by O—H⋯N and N—H⋯O hydrogen bonds, in which the water mol­ecule acts as both a donor and an acceptor, into a tape with an R (4) (4)(16) graph-set motif along the a axis. The water mol­ecule is located on a twofold rotation axis. The methyl H atoms were treated as disordered groups over two sites with a refined site-occupancy ratio of 0.48 (6):0.52 (6). International Union of Crystallography 2012-07-04 /pmc/articles/PMC3414190/ /pubmed/22904797 http://dx.doi.org/10.1107/S1600536812029431 Text en © Yu et al. 2012 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
Yu, Jian-Guang
Zhu, Hai-Xi
Qiu, Jiang-Kai
Wang, De-Cai
Xu, Hong
N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
title N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
title_full N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
title_fullStr N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
title_full_unstemmed N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
title_short N-(2,4-Difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
title_sort n-(2,4-difluoro­phen­yl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414190/
https://www.ncbi.nlm.nih.gov/pubmed/22904797
http://dx.doi.org/10.1107/S1600536812029431
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