1-[4-(4-Isopropylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

Abstract

Key indicators: single-crystal X-ray study; T = 123 K; mean (C-C) = 0.002 Å; R factor = 0.041; wR factor = 0.113; data-to-parameter ratio = 15.8.In the title molecule, C 16 H 20 N 2 OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98 (6) with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the isopropylphenyl group which has an axial orientation. A weak intramolecular C-HÁ Á ÁO hydrogen bond is observed. In the crystal, molecules are linked via N-HÁ Á ÁO, N-HÁ Á ÁS and C-HÁ Á ÁS hydrogen bonds. Related literature