Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclo­hexa­nebis(methyl­ammonium): [3-(aza­niumylmeth­yl)cyclo­hex­yl]methanaminium dinitrate

Acta Crystallographica Section E: Crystallographic Communications

Chebbi, H.¹  Mezrigui, S.² 

[1] University of Tunis El Manar, Faculty of Sciences of Tunis, Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, 2092 El Manar II, Tunis, Tunisia;University of Tunis, Preparatory Institute for Engineering Studies of Tunis, Street Jawaher Lel Nehru, 1089 Montfleury, Tunis, Tunisia

关键词: OXOANION SALT;    CRYSTAL STRUCTURE;    ORGANIC DINITRATE;    HIRSHFELD SURFACE;    FINGERPRINT PLOTS;    ENERGY FRAMEWORK;   

DOI  :  10.1107/S2056989018008381

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title salt, C8H20N22+·2NO3−, was obtained by a reaction between 1,3-cyclohexa­nebis(methyl­amine) and nitric acid. The cyclo­hexane ring of the organic cation is in a chair conformation with the methyl­ammonium substituents in the equatorial positions and the two terminal ammonium groups in a trans conformation. In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H⋯O hydrogen-bonding inter­actions; these layers are formed by infinite undulating chains running parallel to the [001] direction. The overall inter­molecular inter­actions involved in the structure were qu­anti­fied and fully described by Hirshfeld surface analysis. In addition, energy-framework calculations were used to analyse and visualize the three-dimensional topology of the crystal packing. The electrostatic energy framework is dominant over the dispersion energy framework.

【 授权许可】

CC BY