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

An ionic compound consisting of a triazolium cation and bromide anion, C(7)H(14)N(3) (+)·Br(−), has been synthesized and structurally characterized using single-crystal X-ray diffraction and NMR. The compound crystallizes in the monoclinic space group P2(1)/m with the non-hydrogen atoms of one catio...

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Autores principales: Maynard, Aaron, Keller, Taylor M., Gau, Michael, Albert, Daniel R., Rajaseelan, Edward
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561235/
https://www.ncbi.nlm.nih.gov/pubmed/37818465
http://dx.doi.org/10.1107/S2414314623007848
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author Maynard, Aaron
Keller, Taylor M.
Gau, Michael
Albert, Daniel R.
Rajaseelan, Edward
author_facet Maynard, Aaron
Keller, Taylor M.
Gau, Michael
Albert, Daniel R.
Rajaseelan, Edward
author_sort Maynard, Aaron
collection PubMed
description An ionic compound consisting of a triazolium cation and bromide anion, C(7)H(14)N(3) (+)·Br(−), has been synthesized and structurally characterized using single-crystal X-ray diffraction and NMR. The compound crystallizes in the monoclinic space group P2(1)/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 inter­molecular inter­actions between heterocyclic C—H groups and Br(−) ions. [Image: see text]
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spelling pubmed-105612352023-10-10 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide Maynard, Aaron Keller, Taylor M. Gau, Michael Albert, Daniel R. Rajaseelan, Edward IUCrdata Data Reports An ionic compound consisting of a triazolium cation and bromide anion, C(7)H(14)N(3) (+)·Br(−), has been synthesized and structurally characterized using single-crystal X-ray diffraction and NMR. The compound crystallizes in the monoclinic space group P2(1)/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 inter­molecular inter­actions between heterocyclic C—H groups and Br(−) ions. [Image: see text] International Union of Crystallography 2023-09-14 /pmc/articles/PMC10561235/ /pubmed/37818465 http://dx.doi.org/10.1107/S2414314623007848 Text en © Maynard et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Maynard, Aaron
Keller, Taylor M.
Gau, Michael
Albert, Daniel R.
Rajaseelan, Edward
1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
title 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
title_full 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
title_fullStr 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
title_full_unstemmed 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
title_short 1-Ethyl-4-isopropyl-1,2,4-triazolium bromide
title_sort 1-ethyl-4-isopropyl-1,2,4-triazolium bromide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561235/
https://www.ncbi.nlm.nih.gov/pubmed/37818465
http://dx.doi.org/10.1107/S2414314623007848
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AT rajaseelanedward 1ethyl4isopropyl124triazoliumbromide

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