2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal

In the title co-crystal, C5H9N2+·C6H5O3S−·C5H8N2, the two 1,2-dimethylimidazole rings exist as partially protonated moieties in the asymmetric unit as a two-part disordered unit wherein the acidic hydrogen atom is bound to each ring. The two imidazolium cations share a strong hydrogen bond via the a...

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Bibliographic Details
Published inIUCrData Vol. 5; no. 5; p. x200689
Main Authors Noah Cyr, Matthias Zeller, Patrick C. Hillesheim, Arsalan Mirjafari
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 27.05.2020
Subjects
crystal structure
imidazolium
ionic crystal
tosylate
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Summary:In the title co-crystal, C5H9N2+·C6H5O3S−·C5H8N2, the two 1,2-dimethylimidazole rings exist as partially protonated moieties in the asymmetric unit as a two-part disordered unit wherein the acidic hydrogen atom is bound to each ring. The two imidazolium cations share a strong hydrogen bond via the acidic hydrogen atom, which is disordered between two positions, being bonded to the first versus second imidazole ring in a 0.33 (2) to 0.67 (2) ratio. A benzene sulfonate anion is present for charge balance and interacts with the aromatic H atoms on both imidazole rings as well as with the methyl groups on the rings.
ISSN:2414-3146
2414-3146
DOI:10.1107/S2414314620006896