1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate

In the title compound, C(10)H(8)FN(3)O·0.5H(2)O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water mol­ecule lies on a twofold axis. Weak inter­molecular O—H⋯N and C—H⋯O hydrogen bonds link one water mol­ecule with four phenyl­ethanone mol­ecules, while inter­molecular...

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Detalles Bibliográficos
Autores principales: Liu, Dong-liang, Li, Chen, Tian, Xin, Li, Song, Xiao, Tao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238841/
https://www.ncbi.nlm.nih.gov/pubmed/22199694
http://dx.doi.org/10.1107/S1600536811045429
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author Liu, Dong-liang
Li, Chen
Tian, Xin
Li, Song
Xiao, Tao
author_facet Liu, Dong-liang
Li, Chen
Tian, Xin
Li, Song
Xiao, Tao
author_sort Liu, Dong-liang
collection PubMed
description In the title compound, C(10)H(8)FN(3)O·0.5H(2)O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water mol­ecule lies on a twofold axis. Weak inter­molecular O—H⋯N and C—H⋯O hydrogen bonds link one water mol­ecule with four phenyl­ethanone mol­ecules, while inter­molecular C—H⋯O hydrogen bonds involving the ketone group link phenyl­ethanone mol­ecules into layers parallel to (100).
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spelling pubmed-32388412011-12-23 1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate Liu, Dong-liang Li, Chen Tian, Xin Li, Song Xiao, Tao Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(8)FN(3)O·0.5H(2)O, the dihedral angle between the mean planes of the rings is 99.80 (4)°. The water mol­ecule lies on a twofold axis. Weak inter­molecular O—H⋯N and C—H⋯O hydrogen bonds link one water mol­ecule with four phenyl­ethanone mol­ecules, while inter­molecular C—H⋯O hydrogen bonds involving the ketone group link phenyl­ethanone mol­ecules into layers parallel to (100). International Union of Crystallography 2011-11-05 /pmc/articles/PMC3238841/ /pubmed/22199694 http://dx.doi.org/10.1107/S1600536811045429 Text en © Liu 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
Liu, Dong-liang
Li, Chen
Tian, Xin
Li, Song
Xiao, Tao
1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title 1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_full 1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_fullStr 1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_full_unstemmed 1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_short 1-(4-Fluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate
title_sort 1-(4-fluoro­phen­yl)-2-(1h-1,2,4-triazol-1-yl)ethanone hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238841/
https://www.ncbi.nlm.nih.gov/pubmed/22199694
http://dx.doi.org/10.1107/S1600536811045429
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