Acta Crystallographica Section E: Crystallographic Communications (Jul 2018)

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

  • Hammouda Chebbi,
  • Samia Mezrigui,
  • Meriam Ben Jomaa,
  • Mohamed Faouzi Zid

DOI
https://doi.org/10.1107/S2056989018008381
Journal volume & issue
Vol. 74, no. 7
pp. 949 – 954

Abstract

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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.

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