Crystal structure and Hirshfeld surface analysis of trans-2,5-di-methyl-piperazine-1,4-diium tetra-chlorido-cobaltate(II).

Meriem Landolsi,Sonia Abid

doi:10.1107/s2056989021002954

Meriem Landolsi, Sonia Abid

Open Access

https://doi.org/10.1107/s2056989021002954

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Abstract

In the title mol-ecular salt, (C6H16N2)[CoCl4], the complete dication is generated by crystallographic inversion symmetry and the piperazine ring adopts a chair conformation with the pendant methyl groups in equatorial orientations. The complete dianion is generated by crystallographic twofold symmetry. In the crystal, the (C6H16N2)2+ and [CoCl4]2- ions are linked by N-H⋯Cl and C-H⋯Cl hydrogen bonds, thereby forming a two-dimensional supra-molecular network. The Hirshfeld surface analysis and fingerprint plots reveal that the largest contributions to the crystal stability come from H⋯Cl/Cl⋯H (68.4%) and H⋯H (27.4%) contacts.

Highlights

Tetrachlorocobalt/copper (II) salts with organic cations, such as (C6H10N3)2[CoCl4] (Titi et al 2020), [(CH3)2NH2]2[CoCl4] (Pietraszko et al 2006) and (C7H7N2S)2[CuCl4] (Vishwakarma et al 2017) have received attention due to their potential applications in the electronic, magnetic, optical and antimicrobial fields
The negative charge on the inorganic complex ion is balanced by the organic groups, which usually act as structure-directing agents by the formation of N—HÁ Á ÁCl hydrogen bonds and significantly affect the structure and dimensionality of the supramolecular network
As an extension of these studies, we describe the synthesis, structure and Hirshfeld surface analysis of the title molecular salt, (I)

Summary

Chemical context

Tetrachlorocobalt/copper (II) salts with organic cations, such as (C6H10N3)2[CoCl4] (Titi et al 2020), [(CH3)2NH2]2[CoCl4] (Pietraszko et al 2006) and (C7H7N2S)2[CuCl4] (Vishwakarma et al 2017) have received attention due to their potential applications in the electronic, magnetic, optical and antimicrobial fields. In these materials, the negative charge on the inorganic complex ion is balanced by the organic groups, which usually act as structure-directing agents by the formation of N—HÁ Á ÁCl hydrogen bonds and significantly affect the structure and dimensionality of the supramolecular network. As an extension of these studies, we describe the synthesis, structure and Hirshfeld surface analysis of the title molecular salt, (I)

Structural commentary

Supramolecular features

Hirshfeld surface analysis

Findings

Synthesis and crystallization