Ganesan S, Sugumar P, Ananthan S, Ponnuswamy M N
Research Development Centre, Orchid Chemicals and Pharmaceuticals Ltd, Sozhinganallur, Chennai 600 119, India ; Department of Chemistry, Presidency College (Autonomous), Chennai 600 005, India.
Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 2;69(Pt 11):o1598. doi: 10.1107/S1600536813026500.
In the title compound, C24H27N5O2S·0.5H2O, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend dihedral angles of 69.7 (1) and 88.7 (1)° with the best plane through the piperidine moiety. In the crystal, symmetry-related mol-ecules are linked through a network of C-H⋯O and C-H⋯N inter-actions, the former connecting them into zigzag chains along the c-axis direction and the latter forming an R (2) 2(4)motif. The dimer formation (C-H⋯N) and the repetition of symmetry-related molecules (C-H⋯O) along the b-axis direction stabilize the packing mode. The water mol-ecule is located on a twofold rotation axis.
在标题化合物C24H27N5O2S·0.5H2O中，哌啶环呈扭曲的船式构象。苯环与通过哌啶部分的最佳平面的二面角分别为69.7 (1)°和88.7 (1)°。在晶体中，对称相关的分子通过C—H⋯O和C—H⋯N相互作用网络相连，前者将它们沿c轴方向连接成锯齿链，后者形成R (2) 2(4)基序。二聚体的形成（C—H⋯N）以及对称相关分子沿b轴方向的重复排列稳定了堆积模式。水分子位于二重旋转轴上。
