El-Emam Ali A, Al-Deeb Omar A, Al-Turkistani Abdulghafoor A, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3126. doi: 10.1107/S1600536811044746. Epub 2011 Oct 29.
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].
在标题嘧啶衍生物C(23)H(23)N(3)S(2)中，苯硫基和苄硫基苯环背离腈基取向，并且分别以77.66 (6)°和64.73 (5)°的二面角扭曲出中心环的平面。正戊基具有伸展的反式构象。在晶体中，ab平面内的超分子层通过C—H⋯π和π-π相互作用得以维持[嘧啶-苯硫基质心-质心距离 = 3.8087 (7) Å]。
