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1-Methyl-5-nitro-imidazolium chloride.

ABSTRACT: The title salt, C₄H₆N₃O₂ ⁺·Cl^-, exhibits multiple hydrogen-bonding inter-actions involving the nitro-imidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H⋯Cl inter-actions, the central aromatic hydrogen atom displays a shorter inter-action than the other aromatic hydrogen atom. Finally, inter-actions are observed between the nitro moiety and methyl H atoms. While no π-π stacking is observed, anion-π inter-actions are present. The crystal was refined as a two-component twin.

SUBMITTER: Bellia S

PROVIDER: S-EPMC9635428 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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1-Methyl-5-nitro-imidazolium chloride.

Bellia Sophia S Anderson Grace G Zeller Matthias M Mirjafari Arsalan A Hillesheim Patrick C PC

IUCrData 20220908 Pt 9

The title salt, C4H6N3O2 +·Cl-, exhibits multiple hydrogen-bonding inter-actions involving the nitro-imidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H⋯Cl inter-actions, the central aromatic hydrogen atom displays a shorter inter-action than the other aromatic hydrogen atom. Finally, inter-actions are observed b ...[more]

PMID: 36337461

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