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

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.

SUBMITTER: Landolsi M

PROVIDER: S-EPMC8025852 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature

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

Landolsi Meriem M Abid Sonia S

Acta crystallographica. Section E, Crystallographic communications 20210326 Pt 4

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 hy ...[more]

PMID: 33936770

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