Akbar Muhammad, Quereshi Fahim Ashraf, Nasir Waqar, Adnan Ahmad, Ng Seik Weng
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2849. doi: 10.1107/S1600536810041103.
The -SCH(2)CH(2)CH(2)CH(2)S- portion of the title compound, C(12)H(14)N(2)S(2), adopts an extended zigzag conformation. The angles at the tetra-hedral carbon atoms are marginally increased [113.63 (12)° and 111.38 (17)° for S-C-C and C-C-C respectively] from the idealized tetra-hedral angle. The mol-ecule lies on an inversion center located at the mid-point of the butyl chain. In the crystal, there is a π-π stacking inter-action between inversion-related pyrimidine rings with mean inter-planar spacing of 3.494 (2) Å.
标题化合物C(12)H(14)N(2)S(2)中的-SCH(2)CH(2)CH(2)CH(2)S-部分呈伸展的锯齿状构象。四面体碳原子处的角度相对于理想四面体角略有增大[S-C-C和C-C-C的角度分别为113.63 (12)°和111.38 (17)°]。分子位于丁基链中点处的对称中心上。在晶体中,与反演相关的嘧啶环之间存在π-π堆积相互作用,平均平面间距为3.494 (2) Å。