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. 2012 Jul 1;68(Pt 7):o2055-6. doi: 10.1107/S1600536812025810. Epub 2012 Jun 13.
In the title compound, C(22)H(20)ClN(3)S(2), the S-bound benzene rings are inclined [dihedral angles = 78.13 (10) and 36.70 (9)°] with respect to the pyrimidine ring. The methyl-propyl group occupies a position normal to the pyrimidine ring [N-C-C-C torsion angle = 92.3 (2)°]. In the crystal, supra-molecular layers are formed in the bc plane, being consolidated by C-H⋯π and π-π inter-actions, the latter between the pyrimidine and S-bound benzene rings [inter-centroid distance = 3.7683 (12) Å].
在标题化合物C₂₂H₂₀ClN₃S₂中，与硫相连的苯环相对于嘧啶环呈倾斜状[二面角分别为78.13 (10)°和36.70 (9)°]。甲基丙基占据垂直于嘧啶环的位置[N-C-C-C扭转角 = 92.3 (2)°]。在晶体中，超分子层在bc平面形成，通过C-H⋯π和π-π相互作用得以巩固，后者存在于嘧啶环与与硫相连的苯环之间[质心间距 = 3.7683 (12) Å]。
