6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one

In the title compound, C(15)H(12)F(3)N(3)O(3)S, the pyrimidine ring adopts a half-chair conformation with the mean plane formed by the ring atoms excluding the C atom bonded to thio­phene-2-carbonyl group lying nearly perpendicular to the pyridine and thio­phene rings, making dihedral angles of 84.9...

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Detalles Bibliográficos
Autores principales: Li, Gong-Chun, Ju, Zhi-Yu, Wang, Hong-Sheng, Niu, Yu-Jiao, Yang, Feng-Ling
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009001/
https://www.ncbi.nlm.nih.gov/pubmed/21589037
http://dx.doi.org/10.1107/S1600536810041085
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author Li, Gong-Chun
Ju, Zhi-Yu
Wang, Hong-Sheng
Niu, Yu-Jiao
Yang, Feng-Ling
author_facet Li, Gong-Chun
Ju, Zhi-Yu
Wang, Hong-Sheng
Niu, Yu-Jiao
Yang, Feng-Ling
author_sort Li, Gong-Chun
collection PubMed
description In the title compound, C(15)H(12)F(3)N(3)O(3)S, the pyrimidine ring adopts a half-chair conformation with the mean plane formed by the ring atoms excluding the C atom bonded to thio­phene-2-carbonyl group lying nearly perpendicular to the pyridine and thio­phene rings, making dihedral angles of 84.91 (4) and 87.40 (5)°, respectively. The dihedral angle between the pyridine and thio­phene rings is 54.44 (5)°. The crystal structure is stabilized by inter­molecular O—H⋯O and N—H⋯N hydrogen bonds and weak C—H⋯O inter­actions further consolidate the structure.
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spelling pubmed-30090012010-12-30 6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one Li, Gong-Chun Ju, Zhi-Yu Wang, Hong-Sheng Niu, Yu-Jiao Yang, Feng-Ling Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(12)F(3)N(3)O(3)S, the pyrimidine ring adopts a half-chair conformation with the mean plane formed by the ring atoms excluding the C atom bonded to thio­phene-2-carbonyl group lying nearly perpendicular to the pyridine and thio­phene rings, making dihedral angles of 84.91 (4) and 87.40 (5)°, respectively. The dihedral angle between the pyridine and thio­phene rings is 54.44 (5)°. The crystal structure is stabilized by inter­molecular O—H⋯O and N—H⋯N hydrogen bonds and weak C—H⋯O inter­actions further consolidate the structure. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3009001/ /pubmed/21589037 http://dx.doi.org/10.1107/S1600536810041085 Text en © Li et al. 2010 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
Ju, Zhi-Yu
Wang, Hong-Sheng
Niu, Yu-Jiao
Yang, Feng-Ling
6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one
title 6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one
title_full 6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one
title_fullStr 6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one
title_full_unstemmed 6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one
title_short 6-Hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one
title_sort 6-hy­droxy-4-(pyridin-3-yl)-5-(2-thienyl­carbon­yl)-6-trifluoro­meth­yl-3,4,5,6-tetra­hydro­pyrimidin-2(1h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009001/
https://www.ncbi.nlm.nih.gov/pubmed/21589037
http://dx.doi.org/10.1107/S1600536810041085
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