1-Ethyl-4-isopropyl-1,2,4-triazolium bromide

Aaron Maynard; Taylor M Keller; Michael Gau; Daniel R Albert; Edward Rajaseelan

doi:10.1107/S2414314623007848

1-Ethyl-4-isopropyl-1,2,4-triazolium bromide

IUCrdata. 2023 Sep 14;8(Pt 9):x230784. doi: 10.1107/S2414314623007848. eCollection 2023 Sep.

Authors

Aaron Maynard¹, Taylor M Keller², Michael Gau², Daniel R Albert¹, Edward Rajaseelan¹

Affiliations

¹ Department of Chemistry, Millersville University, Millersville, PA 17551, USA.
² Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104, USA.

Abstract

An ionic compound consisting of a triazolium cation and bromide anion, C₇H₁₄N₃ ⁺·Br^-, has been synthesized and structurally characterized using single-crystal X-ray diffraction and NMR. The compound crystallizes in the monoclinic space group P2₁/m with the non-hydrogen atoms of one cation lying on general positions and the others lying on a mirror plane. One bromide ion also lies on the mirror. The extended structure exhibits only weak inter-molecular inter-actions between heterocyclic C-H groups and Br^- ions.

Keywords: crystal structure; heterocyclic ionic compound; triazolium salt.