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

Authors :
Chebbi, Hammouda
Mezrigui, Samia
Jomaa, Meriam Ben
Zid, Mohamed Faouzi
Source :
Acta Crystallographica Section E: Crystallographic Communications. Jul2018, Vol. 74 Issue 7, p949-954. 11p. 9 Color Photographs, 3 Charts, 2 Graphs.
Publication Year :
2018

Abstract

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 threedimensional topology of the crystal packing. The electrostatic energy framework is dominant over the dispersion energy framework. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
74
Issue :
7
Database :
Academic Search Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
130701504
Full Text :
https://doi.org/10.1107/S2056989018008381