Crystal structure of ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Abstract

The title compound, C14H15FN2O2S, crystallizes with two molecules in the asymmetric unit. In each molecule, the pyrimidine ring adopts a sofa conformation with the sp3-hybridized C atom forming the flap and the fluoro-substituted ring in an axial position. In the crystal, molecules are linked via N—H...S hydrogen bonds, forming chains of R22(8) rings along [100]. In one independent molecule, an intramolecular C—H...O hydrogen bond is observed.

Keywords

• crystal structure
• ester
• pyrimidine
• hydrogen bonding
• 3,4-dihydropyrimidin-2(1H)-one
• therapeutic properties
• pharmacological properties