Cargando…
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: | , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
|
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 |
Sumario: | 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. |
---|