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(4-氯苯基)(4-甲基哌啶-1-基)甲酮的晶体结构

Crystal structure of (4-chloro-phen-yl)(4-methyl-piperidin-1-yl)methanone.

作者信息

Srividya J, Reuben Jonathan D, Revathi B K, Divya Bharathi M, Anbalagan G

机构信息

PG and Research Department of Physics, Queen Mary's College, Affiliated to University of Madras, Chennai-4, Tamilnadu, India.

Department of Chemistry, Madras Christian College, Affiliated to University of Madras, Chennai-59, Tamilnadu, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Mar 13;76(Pt 4):534-538. doi: 10.1107/S2056989020001930. eCollection 2020 Apr 1.

Abstract

The title compound, CHClNO, contains a methyl-piperidine ring in the stable chair conformation. The mean plane of the twisted piperidine ring subtends a dihedral angle of 39.89 (7)° with that of the benzene ring. In the crystal, weak C-H⋯O inter-actions link the mol-ecules along the -axis direction to form infinite mol-ecular chains. H⋯H inter-atomic inter-actions, C-H⋯O inter-molecular inter-actions and weak dispersive forces stabilize mol-ecular packing and form a supra-molecular network, as established by Hirshfeld surface analysis.

摘要

标题化合物CHClNO包含处于稳定椅式构象的甲基哌啶环。扭曲哌啶环的平均平面与苯环的平均平面呈39.89 (7)°的二面角。在晶体中,弱的C—H⋯O相互作用沿轴方向连接分子,形成无限的分子链。通过 Hirshfeld 表面分析确定,H⋯H原子间相互作用、C—H⋯O分子间相互作用和弱色散力稳定了分子堆积并形成超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/58d6/7133048/cb36dac5e75c/e-76-00534-fig1.jpg

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