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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.
- 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]
- Subjects :
- *OXYANIONS
*METHYLAMMONIUM
*CRYSTAL structure
Subjects
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