Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate
The structure of the title salt, 3C4H7N2+·C9H3O63− (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 (90.99: 9.01occupancy ratio). Analysis...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2025-07-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2056989025004748 |
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| Summary: | The structure of the title salt, 3C4H7N2+·C9H3O63− (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 (90.99: 9.01occupancy ratio). Analysis of bond distances and angles reveals the 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 formation of hydrogen-bonded two-dimensional networks perpendicular to the [111] vector, where neighbouring planes interact via extensive π–π stacking. |
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| ISSN: | 2056-9890 |