Abstract
The title salt, C8H20N22+·2NO3-, was obtained by a reaction between 1,3-cyclohexa-nebis(methyl-amine) and nitric acid. The cyclo-hexane ring of the organic cation is in a chair conformation with the methyl-ammonium 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 inter-actions; these layers are formed by infinite undulating chains running parallel to the [001] direction. The overall inter-molecular inter-actions involved in the structure were qu-anti-fied 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.
Highlights
The title salt, C8H20N22+Á2NO3À, 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
The design of new organic–inorganic hybrid ionic materials is of current interest for various applications, in the areas of crystal engineering, supramolecular chemistry and materials science (Kimizuka & Kunitake, 1996; Mitzi et al, 1999; Bonhomme & Kanatzidis, 1998; Wachhold & Kanatzidis, 2000), and for optical semiconductor materials (Kagan et al, 1999; Li et al, 2008)
Summary
The design of new organic–inorganic hybrid ionic materials is of current interest for various applications, in the areas of crystal engineering, supramolecular chemistry and materials science (Kimizuka & Kunitake, 1996; Mitzi et al, 1999; Bonhomme & Kanatzidis, 1998; Wachhold & Kanatzidis, 2000), and for optical semiconductor materials (Kagan et al, 1999; Li et al, 2008) Among these hybrid compounds, organic nitrates are interesting for their multiple applications including as catalytic precursors of numerous reactions, in biological treatment systems or as pharmacological products (Brandan, 2012a,b, 2015; Castillo et al, 2011; Torfgard & Ahlner, 1994). In a continuation of our recent studies of new hybrid compounds containing an organic cation and an inorganic oxoanion such as CrO42À (Chebbi et al, 2000; Chebbi & Driss, 2001, 2002a,b, 2004), Cr2O72À (Chebbi et al, 2016; Ben Smail et al, 2017), NO3À (Chebbi et al, 2014) and ClO4À (Chebbi et al, 2017; Ben Jomaa et al, 2018), we report in this work the crystal structure, Hirshfeld surface analysis and energyframework calculations for a new organic nitrate, (C8H20N2)[NO3]2 (I)
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