Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Abstract

In the title compound, C17H21ClN2O6, the dihydropyrimidine ring adopts a flattened envelope conformation, with the sp3-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and dihydropyrimidine rings is 88.09 (6)°. An intramolecular C—H...O hydrogen bond generates an S(6) ring. In the crystal, molecules are linked via pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(8) ring motif, and the dimers are linked via further pairs of N—H...O hydrogen bonds, forming R22(14) rings and chains of molecules along [111]. Pairs of inversion-related chains are linked via weak C—H...π interactions.

Keywords

• crystal structure
• conformation
• dihydropyrimidine
• ring motif
• C—H...π interactions