4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one

In the title compound, C(16)H(12)F(4)N(2)O(3)S, the pyrimidine ring adopts a half-chair conformation; the mean plane formed by the ring atoms excluding the C atom bonded to the thio­phen-2-ylcarbonyl group has an r.m.s. deviation of 0.059 Å. The dihedral angle between the benzene and thio­phene ring...

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Detalles Bibliográficos
Autores principales: He, Qin, Li, Jing, Huang, Bao-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100023/
https://www.ncbi.nlm.nih.gov/pubmed/21754056
http://dx.doi.org/10.1107/S1600536811006933
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author He, Qin
Li, Jing
Huang, Bao-Jun
author_facet He, Qin
Li, Jing
Huang, Bao-Jun
author_sort He, Qin
collection PubMed
description In the title compound, C(16)H(12)F(4)N(2)O(3)S, the pyrimidine ring adopts a half-chair conformation; the mean plane formed by the ring atoms excluding the C atom bonded to the thio­phen-2-ylcarbonyl group has an r.m.s. deviation of 0.059 Å. The dihedral angle between the benzene and thio­phene rings is 62.26 (7)°. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond, generating an S(6) ring. In the crystal, adjacent mol­ecules are connected via a centrosymmetric R (2) (2)(6) motif, formed by N—H⋯O hydrogen bonds.
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spelling pubmed-31000232011-07-13 4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one He, Qin Li, Jing Huang, Bao-Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(12)F(4)N(2)O(3)S, the pyrimidine ring adopts a half-chair conformation; the mean plane formed by the ring atoms excluding the C atom bonded to the thio­phen-2-ylcarbonyl group has an r.m.s. deviation of 0.059 Å. The dihedral angle between the benzene and thio­phene rings is 62.26 (7)°. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond, generating an S(6) ring. In the crystal, adjacent mol­ecules are connected via a centrosymmetric R (2) (2)(6) motif, formed by N—H⋯O hydrogen bonds. International Union of Crystallography 2011-03-02 /pmc/articles/PMC3100023/ /pubmed/21754056 http://dx.doi.org/10.1107/S1600536811006933 Text en © He 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
He, Qin
Li, Jing
Huang, Bao-Jun
4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
title 4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
title_full 4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
title_fullStr 4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
title_full_unstemmed 4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
title_short 4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
title_sort 4-(3-fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100023/
https://www.ncbi.nlm.nih.gov/pubmed/21754056
http://dx.doi.org/10.1107/S1600536811006933
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AT lijing 43fluorophenyl6hydroxy5thiophen2ylcarbonyl6trifluoromethyl13diazinan2one
AT huangbaojun 43fluorophenyl6hydroxy5thiophen2ylcarbonyl6trifluoromethyl13diazinan2one

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