Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate

The asymmetric unit of the title compound, C(14)H(14)F(4)N(2)O(4)·H(2)O, contains two crystallographically independent organic mol­ecules and two water mol­ecules. The two 1,3-diazinane rings adopt a half-chair conformation and the dihedral angles between their mean planes and those of the benzene r...

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Detalles Bibliográficos
Autores principales: Li, Gong-Chun, Wu, Chang-Zeng, Guo, Li-Li, Yang, Feng-Ling
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/PMC3151995/
https://www.ncbi.nlm.nih.gov/pubmed/21837100
http://dx.doi.org/10.1107/S1600536811021866
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author Li, Gong-Chun
Wu, Chang-Zeng
Guo, Li-Li
Yang, Feng-Ling
author_facet Li, Gong-Chun
Wu, Chang-Zeng
Guo, Li-Li
Yang, Feng-Ling
author_sort Li, Gong-Chun
collection PubMed
description The asymmetric unit of the title compound, C(14)H(14)F(4)N(2)O(4)·H(2)O, contains two crystallographically independent organic mol­ecules and two water mol­ecules. The two 1,3-diazinane rings adopt a half-chair conformation and the dihedral angles between their mean planes and those of the benzene rings are 75.65 (4)° and 49.41 (3)° in the two mol­ecules. The crystal structure is stabilized by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds.
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spelling pubmed-31519952011-08-11 Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate Li, Gong-Chun Wu, Chang-Zeng Guo, Li-Li Yang, Feng-Ling Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(14)H(14)F(4)N(2)O(4)·H(2)O, contains two crystallographically independent organic mol­ecules and two water mol­ecules. The two 1,3-diazinane rings adopt a half-chair conformation and the dihedral angles between their mean planes and those of the benzene rings are 75.65 (4)° and 49.41 (3)° in the two mol­ecules. The crystal structure is stabilized by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151995/ /pubmed/21837100 http://dx.doi.org/10.1107/S1600536811021866 Text en © Li 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
Li, Gong-Chun
Wu, Chang-Zeng
Guo, Li-Li
Yang, Feng-Ling
Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate
title Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate
title_full Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate
title_fullStr Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate
title_full_unstemmed Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate
title_short Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate
title_sort ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151995/
https://www.ncbi.nlm.nih.gov/pubmed/21837100
http://dx.doi.org/10.1107/S1600536811021866
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AT yangfengling ethyl64fluorophenyl4hydroxy2oxo4trifluoromethyl13diazinane5carboxylatemonohydrate

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