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

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, C16H12ClF3N2O3S·H2O, 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 th...

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Main Authors: Mohammad Hossein Mosslemin, Mohammad Reza Nateghi, Hesamaddin Sadoughi, Asal Lamei
Format: Article
Language:English
Published: International Union of Crystallography 2009-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809017097
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spelling doaj-032ac487bed74caca39f50f091ef7d622020-11-25T02:40:28ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-06-01656o1339o133910.1107/S16005368090170974-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrateMohammad Hossein MossleminMohammad Reza NateghiHesamaddin SadoughiAsal LameiThe asymmetric unit of the title compound, C16H12ClF3N2O3S·H2O, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809017097
collection DOAJ
language English
format Article
sources DOAJ
author Mohammad Hossein Mosslemin
Mohammad Reza Nateghi
Hesamaddin Sadoughi
Asal Lamei
spellingShingle Mohammad Hossein Mosslemin
Mohammad Reza Nateghi
Hesamaddin Sadoughi
Asal Lamei
4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate
Acta Crystallographica Section E
author_facet Mohammad Hossein Mosslemin
Mohammad Reza Nateghi
Hesamaddin Sadoughi
Asal Lamei
author_sort Mohammad Hossein Mosslemin
title 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_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_sort 4-(4-chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1h)-one monohydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-06-01
description The asymmetric unit of the title compound, C16H12ClF3N2O3S·H2O, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809017097
work_keys_str_mv AT mohammadhosseinmosslemin 44chlorophenyl6hydroxy52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21honemonohydrate
AT mohammadrezanateghi 44chlorophenyl6hydroxy52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21honemonohydrate
AT hesamaddinsadoughi 44chlorophenyl6hydroxy52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21honemonohydrate
AT asallamei 44chlorophenyl6hydroxy52thienylcarbonyl6trifluoromethyl3456tetrahydropyrimidin21honemonohydrate
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