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

Abstract

In the title compound, C14H14F4N2O3S, 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.

Keywords

• crystal structure
• dihydropyrimidine derivative
• organofluorine compounds
• hydrogen bonding