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

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.

SUBMITTER: Maynard A

PROVIDER: S-EPMC10561235 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature

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

Maynard Aaron A Keller Taylor M TM Gau Michael M Albert Daniel R DR Rajaseelan Edward E

IUCrData 20230914 Pt 9

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 ...[more]

PMID: 37818465

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