Acta Cryst. (2010). E66, o2932-o2933  [ doi:10.1107/S1600536810041589 ]

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

J.-L. Zhang, H.-S. Wang, Y.-J. Niu and F.-X. Zhu

Abstract: The title compound, C₁₆H₁₂F₃N₃O₅S·H₂O, 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-HO hydrogen bonds, generating an S(6) ring. The crystal structure is stabilized by intermolecular O-HO and N-HO hydrogen bonds.

Online 23 October 2010

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