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4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate
The asymmetric unit of the title compound, C(16)H(12)ClF(3)N(2)O(3)S·H(2)O, contains two crystallographically independent organic molecules and two water molecules. The organic species are linked by an intermolecular O—H⋯O hydrogen bond, while the water molecules are connected to them through in...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969779/ https://www.ncbi.nlm.nih.gov/pubmed/21583192 http://dx.doi.org/10.1107/S1600536809017097 |
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author | Mosslemin, Mohammad Hossein Nateghi, Mohammad Reza Sadoughi, Hesamaddin Lamei, Asal |
author_facet | Mosslemin, Mohammad Hossein Nateghi, Mohammad Reza Sadoughi, Hesamaddin Lamei, Asal |
author_sort | Mosslemin, Mohammad Hossein |
collection | PubMed |
description | The asymmetric unit of the title compound, C(16)H(12)ClF(3)N(2)O(3)S·H(2)O, contains two crystallographically independent organic molecules and two water molecules. The organic species are linked by an intermolecular O—H⋯O hydrogen bond, while the water molecules are connected to them through intermolecular O—H⋯N hydrogen bonds. The thiophene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent molecule and 60.74 (5)° in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intramolecular N—H⋯F interactions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into chains. |
format | Text |
id | pubmed-2969779 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29697792010-12-30 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate Mosslemin, Mohammad Hossein Nateghi, Mohammad Reza Sadoughi, Hesamaddin Lamei, Asal Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(16)H(12)ClF(3)N(2)O(3)S·H(2)O, contains two crystallographically independent organic molecules and two water molecules. The organic species are linked by an intermolecular O—H⋯O hydrogen bond, while the water molecules are connected to them through intermolecular O—H⋯N hydrogen bonds. The thiophene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent molecule and 60.74 (5)° in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intramolecular N—H⋯F interactions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into chains. International Union of Crystallography 2009-05-20 /pmc/articles/PMC2969779/ /pubmed/21583192 http://dx.doi.org/10.1107/S1600536809017097 Text en © Mosslemin 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 Mosslemin, Mohammad Hossein Nateghi, Mohammad Reza Sadoughi, Hesamaddin Lamei, Asal 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate |
title | 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate |
title_full | 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate |
title_fullStr | 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate |
title_full_unstemmed | 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate |
title_short | 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate |
title_sort | 4-(4-chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1h)-one monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969779/ https://www.ncbi.nlm.nih.gov/pubmed/21583192 http://dx.doi.org/10.1107/S1600536809017097 |
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