5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate

The asymmetric unit of the title compound, C(18)H(14)F(3)N(3)O(5)·H(2)O, contains two independent formula units. The two heterocyclic mol­ecules differ in the orientations of the benzoyl­phenyl group with respect to the tetra­hydro­pyrimidine ring [C—C—C—C torsion angles of 64.5 (3) and 67.1 (3)°]....

Descripción completa

Detalles Bibliográficos
Autores principales: Yang, Feng-Ling, Zhang, Jing, Yao, Chang-Sheng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967995/
https://www.ncbi.nlm.nih.gov/pubmed/21581725
http://dx.doi.org/10.1107/S160053680804124X
_version_ 1782189744605626368
author Yang, Feng-Ling
Zhang, Jing
Yao, Chang-Sheng
author_facet Yang, Feng-Ling
Zhang, Jing
Yao, Chang-Sheng
author_sort Yang, Feng-Ling
collection PubMed
description The asymmetric unit of the title compound, C(18)H(14)F(3)N(3)O(5)·H(2)O, contains two independent formula units. The two heterocyclic mol­ecules differ in the orientations of the benzoyl­phenyl group with respect to the tetra­hydro­pyrimidine ring [C—C—C—C torsion angles of 64.5 (3) and 67.1 (3)°]. In both mol­ecules the pyrimidine ring adopts a half-chair conformation. The mol­ecules are linked into a two-dimensional network parallel to (001) by N—H⋯O and O—H⋯O hydrogen bonds.
format Text
id pubmed-2967995
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29679952010-12-30 5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate Yang, Feng-Ling Zhang, Jing Yao, Chang-Sheng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(14)F(3)N(3)O(5)·H(2)O, contains two independent formula units. The two heterocyclic mol­ecules differ in the orientations of the benzoyl­phenyl group with respect to the tetra­hydro­pyrimidine ring [C—C—C—C torsion angles of 64.5 (3) and 67.1 (3)°]. In both mol­ecules the pyrimidine ring adopts a half-chair conformation. The mol­ecules are linked into a two-dimensional network parallel to (001) by N—H⋯O and O—H⋯O hydrogen bonds. International Union of Crystallography 2008-12-10 /pmc/articles/PMC2967995/ /pubmed/21581725 http://dx.doi.org/10.1107/S160053680804124X Text en © Yang et al. 2009 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
Yang, Feng-Ling
Zhang, Jing
Yao, Chang-Sheng
5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate
title 5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate
title_full 5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate
title_fullStr 5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate
title_full_unstemmed 5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate
title_short 5-Benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1H)-one monohydrate
title_sort 5-benzoyl-4-hydr­oxy-6-(4-nitro­phen­yl)-4-trifluoro­meth­yl-3,4,5,6-tetrahydro­pyrimidin-2(1h)-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967995/
https://www.ncbi.nlm.nih.gov/pubmed/21581725
http://dx.doi.org/10.1107/S160053680804124X
work_keys_str_mv AT yangfengling 5benzoyl4hydroxy64nitrophenyl4trifluoromethyl3456tetrahydropyrimidin21honemonohydrate
AT zhangjing 5benzoyl4hydroxy64nitrophenyl4trifluoromethyl3456tetrahydropyrimidin21honemonohydrate
AT yaochangsheng 5benzoyl4hydroxy64nitrophenyl4trifluoromethyl3456tetrahydropyrimidin21honemonohydrate

Ejemplares similares