Crystal structure of 5-(4-methylbenzoyl)-1-(methyl-4-methylphenyl-methylene amino)-4-(4-methylphenyl)-1H-pyrimidine-2-thione

Abstract

The title compound, C28H25N3OS, has has been characterized by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 (No. 2), a = 10.058(3), b = 10.318(3), c = 13.560(3)Å, a = 98.694(19), b = 107.418(19), g = 107.069(19)°; V = 1238.7(5)Å3 and Dx = 1.211 Mg m-3, Z = 2. The structure was refined to an R-value of 0.0573 for 1749 observed reflections using three-dimensional X-ray diffraction data. The pyrimidine ring is slightly distorted from planarity, with the maximum deviation from the mean plane of -0.072(4)Å for atom C1. The molecules contain four rings that are not coplanar. The dihedral angles between three benzene rings are 44.6(3), 77.6(2) and 87.4(2). The three benzene rings form dihedral angles of 31.4(2), 57.4(2) and 61.2(2)° with the pyrimidine ring. No classic hydrogen bonds were found. 2008 © The Japan Society for Analytical Chemistry.