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Ethyl 4-hy­droxy-6-(4-hy­droxy­phen­yl)-4-trifluoro­methyl-2-sulfanyl­idene-1,3-diazinane-5-carboxyl­ate ethanol monosolvate

The title compound, C(14)H(15)F(3)N(2)O(4)S·C(2)H(5)OH, was prepared by reaction of 4-hy­droxy­benzaldehyde, ethyl 4,4,4-trifluoro-3-oxobutano­ate and thio­urea. The hexa­hydro­pyrimidine ring adopts a half-chair conformation, the mean plane formed by the ring atoms excluding the C atom bonded to th...

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Detalles Bibliográficos
Autores principales: Yang, Feng-Ling, Fa, Wen-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089211/
https://www.ncbi.nlm.nih.gov/pubmed/21754562
http://dx.doi.org/10.1107/S1600536811015376
Descripción
Sumario:The title compound, C(14)H(15)F(3)N(2)O(4)S·C(2)H(5)OH, was prepared by reaction of 4-hy­droxy­benzaldehyde, ethyl 4,4,4-trifluoro-3-oxobutano­ate and thio­urea. The hexa­hydro­pyrimidine ring adopts a half-chair conformation, the mean plane formed by the ring atoms excluding the C atom bonded to the eth­oxy­carbonyl group has an r.m.s. deviation of 0.0333 Å, and the dihedral angle between this plane and the benzene ring is 56.76 (5)°. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond, generating an S(6) ring. The crystal structure is stabilized by inter­molecular O—H⋯O, O—H⋯S, N—H⋯O and N—H⋯S hydrogen bonds. The ethyl group of the ester unit is disordered over two positions, with an occupancy ratio of 0.757 (10):0.243 (10).