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Crystal structure and Hirshfeld surface analysis of 4-amino-pyridinium thio-cyanate-4-amino-pyridine (1/1).

ABSTRACT: In the crystals of the title compound, C5H7N2 +·CNS-·C5H6N2, the components are linked by three N-H?N and two N-H?S hydrogen bonds, resulting in two inter-penetrating three-dimensional networks. Hirshfeld surface analysis shows that the most important contributions to the crystal packing are from H?H (36.6%), C?H/H?C (20.4%), S?H/H?S (19.7%) and N?H/H?N (13.4%) inter-actions.

SUBMITTER: Renugadevi M

PROVIDER: S-EPMC7472754 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 4-amino-pyridinium thio-cyanate-4-amino-pyridine (1/1).

Renugadevi M M Sinthiya A A Poomani Kumaradhas K Suresh Suganya S

Acta crystallographica. Section E, Crystallographic communications 20200828 Pt 9

In the crystals of the title compound, C5H7N2 +·CNS-·C5H6N2, the components are linked by three N-H⋯N and two N-H⋯S hydrogen bonds, resulting in two inter-penetrating three-dimensional networks. Hirshfeld surface analysis shows that the most important contributions to the crystal packing are from H⋯H (36.6%), C⋯H/H⋯C (20.4%), S⋯H/H⋯S (19.7%) and N⋯H/H⋯N (13.4%) inter-actions. ...[more]

PMID: 32939314

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