Alikhanova Aygun I, Atioğlu Zeliha, Akkurt Mehmet, Mlowe Sixberth
Institute of Polymer Materials, National Academy of Sciences of Azerbaijan, Sumgayit, 5004, Azerbaijan.
Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, Turkey.
Acta Crystallogr E Crystallogr Commun. 2021 Jul 9;77(Pt 8):775-779. doi: 10.1107/S2056989021006952. eCollection 2021 Aug 1.
The mol-ecule of the title compound, CHClNO, is generated by a crystallographic inversion centre at the midpoint of the central C-C bond. A kink in the mol-ecule is defined by a torsion angle of -169.86 (15)° about this central bond of the alkyl bridge. The pyrrolidine ring is essentially planar [max. deviation = 0.014 (1) Å]. The cyclo-hexane ring has a boat conformation, while both cyclo-pentane rings adopt an envelope conformation. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O, C-H⋯Cl and C-Cl⋯π inter-actions, and short inter-molecular Cl⋯O and Cl⋯Cl contacts, forming a three-dimensional network.
标题化合物CHClNO的分子由位于中心C-C键中点的晶体学反演中心产生。分子中的一个扭结由围绕烷基桥的这个中心键的-169.86 (15)°扭转角定义。吡咯烷环基本呈平面状[最大偏差 = 0.014 (1) Å]。环己烷环具有船式构象，而两个环戊烷环均采用信封式构象。在晶体结构中，分子通过分子间C-H⋯O、C-H⋯Cl和C-Cl⋯π相互作用以及短的分子间Cl⋯O和Cl⋯Cl接触相连，形成三维网络。
