Zukerman-Schpector Julio, Olivato Paulo R, Cerqueira Carlos R, Contieri Bruna, Ng Seik Weng, Tiekink Edward R T
Departmento de Química, Universidade Federal de São Carlos, CP 676, 13565-905 São Carlos-SP, Brazil.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 20;69(Pt 4):o556. doi: 10.1107/S1600536813006995. Print 2013 Apr 1.
In the title compound, C18H17Br2NOS2, the conformation of the piperidin-2-one ring is based on a half-chair with the methyl-ene C atom diagonally opposite the N atom being 0.649 (3) Å above the plane of the remaining five atoms (r.m.s. deviation = 0.1205 Å). The S atoms occupy axial and bis-ectional positions, and the dihedral angle between the benzene rings of 59.95 (11)° indicates a splayed disposition. Helical supra-molecular chains along the b axis sustained by C-H⋯O inter-actions is the major feature of the crystal packing. The chains are connected into a three-dimensional architecture by C-H⋯Br and C-H⋯π inter-actions.
在标题化合物C₁₈H₁₇Br₂NOS₂中，哌啶-2-酮环的构象基于半椅式，与氮原子对角相对的亚甲基碳原子比其余五个原子的平面高出0.649(3) Å（均方根偏差 = 0.1205 Å）。硫原子占据轴向和二分位置，苯环之间59.95(11)°的二面角表明呈张开排列。通过C-H⋯O相互作用沿b轴维持的螺旋超分子链是晶体堆积的主要特征。这些链通过C-H⋯Br和C-H⋯π相互作用连接成三维结构。
