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| Home > Publications database > Crystal structure of tris(2-methyl-1H-imidazol-3-ium)benzene-1,3,5-tricarboxylate |
| Journal Article | PUBDB-2025-01361 |
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2025
International Union of Crystallography
Chester
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Please use a persistent id in citations: doi:10.1107/S2056989025004748 doi:10.3204/PUBDB-2025-01361
Abstract: The structure of the title salt, 3(C$_4$H$_7$N$_2$$^+$)·C$_9$H$_3$O$_6$$^{3-}$ (1), is reported. The compound is formed with three 2-methylimidazolium cations and a fully deprotonated trimesic acid. The structure is disordered over two orientations, which were refined using a split model. The major fraction, comprising 90.99%, is labeled "a", while the minor fraction, comprising 9.01%, is labeled "b". Analysis of bond distances and angles reveals both differences and similarities between compound 1 and the previously published 2-methyl-1H-imidazol-3-ium 3,5-dicarboxybenzoate structure [Baletska et al., (2023). Acta Cryst. E79, 1088-1092] and tris(2-methyl-1H- imidazol-3-ium) 5-carboxybenzene-1,3-dicarboxylate 3,5-dicarboxybenzoate [Asprilla-Herrera et al. (2025). Acta Cryst. E81, 303-309] as well as the neutral counterparts of the ions [Tothadi et al. (2020). ACS Appl. Mater. Interfaces 12, 15588–15594; Hachuła et al. (2010). J. Chem. Crystallogr. 40, 201–206]. The crystal packing analysis reveals the planes' formation perpendicular to the [111] vector. The interactions contributing to the packing include hydrogen bonds within the planes and $π-π$ stacking between them.
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