4-(4-<i>tert</i>-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide

The title 1,2,4-triazolium salt, C<sub>18</sub>H<sub>28</sub>N<sub>3</sub> <sup>+</sup>·Br<sup>-</sup>, crystallizes in the monoclinic space group <i>Pc</i>. The extended structure exhibits a short inter-molecular inter-action between a heterocyclic C-H group and a bromide ion (H⋯Br = 2.57 Å). Additional weaker inter-actions exist between the other heterocyclic C-H group, an alkyl C-H group and bromide ions.

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IUCrData
Published
2025-02-07
DOI
https://doi.org/10.1107/s2414314625000926
Primary Topic
Synthesis and Characterization of Heterocyclic Compounds
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article
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article

4-(4-tert-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide

Michael R. Gau, Edward Rajaseelan, Daniel Albert
IUCrData
Synthesis and Characterization of Heterocyclic Compounds
article

4-(4-tert-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide

Michael R. Gau, Edward Rajaseelan, Daniel Albert
article en

Abstract

The title 1,2,4-triazolium salt, C<sub>18</sub>H<sub>28</sub>N<sub>3</sub> <sup>+</sup>·Br<sup>-</sup>, crystallizes in the monoclinic space group <i>Pc</i>. The extended structure exhibits a short inter-molecular inter-action between a heterocyclic C-H group and a bromide ion (H⋯Br = 2.57 Å). Additional weaker inter-actions exist between the other heterocyclic C-H group, an alkyl C-H group and bromide ions.

IUCrDataVol. 10(2)
Millersville University (US), University of Pennsylvania (US)
Clean water and sanitation
Openalex Percentile: Top 98%
Synthesis and Characterization of Heterocyclic Compounds
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