Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate

The structure of the title salt, C(4)H(7)N(2) (+)·C(9)H(5)O(6) (−) (1), is reported. The compound is built from a protonated 2-methyl­imidazole and a singly deprotonated trimesic acid. Detailed analysis of bond distances and angles for both ions reveals subtle differences compared with their neutral...

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Autores principales: Baletska, Sofiia, Techert, Simone, Velazquez-Garcia, Jose de Jesus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626955/
https://www.ncbi.nlm.nih.gov/pubmed/37936847
http://dx.doi.org/10.1107/S2056989023009209
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author Baletska, Sofiia
Techert, Simone
Velazquez-Garcia, Jose de Jesus
author_facet Baletska, Sofiia
Techert, Simone
Velazquez-Garcia, Jose de Jesus
author_sort Baletska, Sofiia
collection PubMed
description The structure of the title salt, C(4)H(7)N(2) (+)·C(9)H(5)O(6) (−) (1), is reported. The compound is built from a protonated 2-methyl­imidazole and a singly deprotonated trimesic acid. Detailed analysis of bond distances and angles for both ions reveals subtle differences compared with their neutral mol­ecule counterpart. Analysis of the crystal packing in compound 1 reveals the formation of undulating chains by the ions through hydrogen bonding. The chains stack along the b axis through π–π inter­actions and inter­connect with other chains in an out-of-phase arrangement along the ac plane through further hydrogen-bonding inter­actions.
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spelling pubmed-106269552023-11-07 Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate Baletska, Sofiia Techert, Simone Velazquez-Garcia, Jose de Jesus Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title salt, C(4)H(7)N(2) (+)·C(9)H(5)O(6) (−) (1), is reported. The compound is built from a protonated 2-methyl­imidazole and a singly deprotonated trimesic acid. Detailed analysis of bond distances and angles for both ions reveals subtle differences compared with their neutral mol­ecule counterpart. Analysis of the crystal packing in compound 1 reveals the formation of undulating chains by the ions through hydrogen bonding. The chains stack along the b axis through π–π inter­actions and inter­connect with other chains in an out-of-phase arrangement along the ac plane through further hydrogen-bonding inter­actions. International Union of Crystallography 2023-10-31 /pmc/articles/PMC10626955/ /pubmed/37936847 http://dx.doi.org/10.1107/S2056989023009209 Text en © Baletska 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 Research Communications
Baletska, Sofiia
Techert, Simone
Velazquez-Garcia, Jose de Jesus
Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate
title Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate
title_full Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate
title_fullStr Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate
title_full_unstemmed Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate
title_short Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di­carb­oxy­benzoate
title_sort crystal structure of 2-methyl-1h-imidazol-3-ium 3,5-di­carb­oxy­benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626955/
https://www.ncbi.nlm.nih.gov/pubmed/37936847
http://dx.doi.org/10.1107/S2056989023009209
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