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Crystal structure of ethyl 6-(2-fluoro­phen­yl)-4-hy­droxy-2-sulfanyl­idene-4-tri­fluoro­meth­yl-1,3-diazinane-5-carboxyl­ate

In the title compound, C(14)H(14)F(4)N(2)O(3)S, the central di­hydro­pyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluoro­benzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluoro­benzene ring is positioned axially and bis­ects the pyrimidine ring with...

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Detalles Bibliográficos
Autores principales: Krishnamurthy, M. S., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420055/
https://www.ncbi.nlm.nih.gov/pubmed/25995898
http://dx.doi.org/10.1107/S2056989015005836
Descripción
Sumario:In the title compound, C(14)H(14)F(4)N(2)O(3)S, the central di­hydro­pyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluoro­benzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluoro­benzene ring is positioned axially and bis­ects the pyrimidine ring with a dihedral angle of 70.92 (8)°. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features C—H⋯F, N—H⋯S and N—H⋯O hydrogen bonds, which link the mol­ecules into a three-dimensional network.