Siddiqui Rubina, Iqbal Urooj, Saify Zafar Saeed, Akhter Shammim, Yousuf Sammer
Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences, University of Karachi, Karachi-75270, Pakistan.
H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi-75270, Pakistan.
Acta Crystallogr E Crystallogr Commun. 2018 Jun 8;74(Pt 7):931-934. doi: 10.1107/S2056989018008125. eCollection 2018 Jul 1.
The title compound, CHNO·Cl, was synthesized by a one-pot Mannich condensation reaction. In the mol-ecule, the piperidinone ring adopts a chair conformation, and the trimeth-oxy-substituted benzene rings and octyl chain are arranged equatorially. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N-H⋯Cl and C-H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are O⋯H (20.5%) inter-actions followed by C⋯H (7.8%), Cl⋯H (5.5%), C⋯C (1.2%), C⋯O (0.5%) and Cl⋯O (0.4%) inter-actions.
标题化合物CHNO·Cl通过一锅法曼尼希缩合反应合成。在分子中，哌啶酮环呈椅式构象，三甲氧基取代的苯环和辛基链呈平伏排列。在晶体中，中心对称的二聚体通过N-H⋯Cl和C-H⋯Cl氢键连接成平行于(011)的层。 Hirshfeld表面分析表明，晶体堆积中最重要的相互作用是O⋯H（20.5%），其次是C⋯H（7.8%）、Cl⋯H（5.5%）、C⋯C（1.2%）、C⋯O（0.5%）和Cl⋯O（0.4%）相互作用。
