2,3-Dimethyl-1 H-imidazol-3-ium chloride

Grace Anderson; Arsalan Mirjafari; Matthias Zeller; Patrick C Hillesheim

doi:10.1107/S2414314620006604

2,3-Dimethyl-1 H-imidazol-3-ium chloride

IUCrdata. 2020 May 19;5(Pt 5):x200660. doi: 10.1107/S2414314620006604. eCollection 2020 May.

Authors

Grace Anderson¹, Arsalan Mirjafari¹, Matthias Zeller², Patrick C Hillesheim³

Affiliations

¹ Department of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, FL, 33965, USA.
² Purdue University, Department of Chemistry, 560 Oval Drive, West Lafayette, Indiana, 47907, USA.
³ Ave Maria University, Department of Chemistry and Physics, 5050 Ave Maria Blvd, Ave Maria FL, 34142, USA.

Abstract

The title salt, C₅H₉N₂ ⁺·Cl^-, exhibits multiple hydrogen-bonding inter-actions between the cationic imidazole moiety and the chloride anion. The protonated aromatic nitro-gen moiety displays the shortest hydrogen-bonding inter-actions while weaker hydrogen bonding is observed between the aromatic H atoms and the chloride anion. The crystal studied was refined as a two-component inversion twin with a twin ratio of 0.71 (5) to 0.29 (5).

Keywords: crystal structure; hydrogen bonding; imidazolium; ionic.

Grants and funding

Funding for this research was provided by: National Science Foundation (grant No. CHE 11625543); American Chemical Society Petroleum Research Fund (grant No. PRF 58975-UR4); Ave Maria University Department of Chemistry and Physics .