1-Methyl-5-nitro­imidazolium chloride

The title salt, C(4)H(6)N(3)O(2) (+)·Cl(−), exhibits multiple hydrogen-bonding inter­actions involving the nitro­imidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H⋯Cl inter­action...

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Autores principales: Bellia, Sophia, Anderson, Grace, Zeller, Matthias, Mirjafari, Arsalan, Hillesheim, Patrick C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635428/
https://www.ncbi.nlm.nih.gov/pubmed/36337461
http://dx.doi.org/10.1107/S2414314622008781
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author Bellia, Sophia
Anderson, Grace
Zeller, Matthias
Mirjafari, Arsalan
Hillesheim, Patrick C.
author_facet Bellia, Sophia
Anderson, Grace
Zeller, Matthias
Mirjafari, Arsalan
Hillesheim, Patrick C.
author_sort Bellia, Sophia
collection PubMed
description The title salt, C(4)H(6)N(3)O(2) (+)·Cl(−), exhibits multiple hydrogen-bonding inter­actions involving the nitro­imidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H⋯Cl inter­actions, the central aromatic hydrogen atom displays a shorter inter­action than the other aromatic hydrogen atom. Finally, inter­actions are observed between the nitro moiety and methyl H atoms. While no π–π stacking is observed, anion-π inter­actions are present. The crystal was refined as a two-component twin. [Image: see text]
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spelling pubmed-96354282022-11-04 1-Methyl-5-nitro­imidazolium chloride Bellia, Sophia Anderson, Grace Zeller, Matthias Mirjafari, Arsalan Hillesheim, Patrick C. IUCrdata Data Reports The title salt, C(4)H(6)N(3)O(2) (+)·Cl(−), exhibits multiple hydrogen-bonding inter­actions involving the nitro­imidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H⋯Cl inter­actions, the central aromatic hydrogen atom displays a shorter inter­action than the other aromatic hydrogen atom. Finally, inter­actions are observed between the nitro moiety and methyl H atoms. While no π–π stacking is observed, anion-π inter­actions are present. The crystal was refined as a two-component twin. [Image: see text] International Union of Crystallography 2022-09-08 /pmc/articles/PMC9635428/ /pubmed/36337461 http://dx.doi.org/10.1107/S2414314622008781 Text en © Bellia et al. 2022 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
Bellia, Sophia
Anderson, Grace
Zeller, Matthias
Mirjafari, Arsalan
Hillesheim, Patrick C.
1-Methyl-5-nitro­imidazolium chloride
title 1-Methyl-5-nitro­imidazolium chloride
title_full 1-Methyl-5-nitro­imidazolium chloride
title_fullStr 1-Methyl-5-nitro­imidazolium chloride
title_full_unstemmed 1-Methyl-5-nitro­imidazolium chloride
title_short 1-Methyl-5-nitro­imidazolium chloride
title_sort 1-methyl-5-nitro­imidazolium chloride
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635428/
https://www.ncbi.nlm.nih.gov/pubmed/36337461
http://dx.doi.org/10.1107/S2414314622008781
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AT mirjafariarsalan 1methyl5nitroimidazoliumchloride
AT hillesheimpatrickc 1methyl5nitroimidazoliumchloride

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