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rac-6-Hy­droxy-4-(4-nitro­phen­yl)-5-(2-thienyl­carbon­yl)-6-(trifluoro­meth­yl)-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one monohydrate

The title compound, C(16)H(12)F(3)N(3)O(5)S·H(2)O, was prepared by reaction of 4-nitro­benzaldehyde, 4,4,4-trifluoro-1-(thio­phen-2-yl)butane-1,3-dione and urea. The asymmetric unit contains two independent mol­ecules, with essentially identical geom­etries and conformations. The dihydro­pyrimidine...

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Detalles Bibliográficos
Autores principales: Zhang, Jian-Li, Wang, Hong-Sheng, Niu, Yu-Jiao, Zhu, Feng-Xiang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009071/
https://www.ncbi.nlm.nih.gov/pubmed/21589104
http://dx.doi.org/10.1107/S1600536810041589
Descripción
Sumario:The title compound, C(16)H(12)F(3)N(3)O(5)S·H(2)O, was prepared by reaction of 4-nitro­benzaldehyde, 4,4,4-trifluoro-1-(thio­phen-2-yl)butane-1,3-dione and urea. The asymmetric unit contains two independent mol­ecules, with essentially identical geom­etries and conformations. The dihydro­pyrimidine rings adopt a half-chair conformation. The dihedral angles between the benzene ring and the thio­phene ring are 54.82 (8) and 58.72 (8)° in the two mol­ecules. The mol­ecular conformation of one of the mol­ecules is stabilized by two intra­molecular O—H⋯O hydrogen bonds, generating an S(6) ring. The crystal structure is stabilized by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds.