2-Benzyl-sulfanyl-4-pentyl-6-(phenyl-sulfan-yl)pyrimidine-5-carbonitrile

Abstract

In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl-sulfanyl and benzyl-sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66 (6) and 64.73 (5)°, respectively. The n-pentyl group has an extended trans conformation. In the crystal, supra-molecular layers in the ab plane are sustained by C-H⋯π and π-π inter-actions [pyrimidine-phenyl-sulfanyl centroid-centroid distance = 3.8087 (7) Å].

Fig. 1.

The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 50% probability level.

Fig. 2.

Unit-cell contents for (I) shown in projection down the a axis. The C—H···π and π–π interactions are shown as orange and purple dashed lines, respectively.