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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International Union of Crystallography
2025-07-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989025004748 |
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| author | Weronika Łukaszczyk Allegra Lohse Julia Leibing Sudem Yildizbas Irwana Rizvanovic Simone Techert Jose de Jesus Velazquez-Garcia |
| author_facet | Weronika Łukaszczyk Allegra Lohse Julia Leibing Sudem Yildizbas Irwana Rizvanovic Simone Techert Jose de Jesus Velazquez-Garcia |
| author_sort | Weronika Łukaszczyk |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-aeff2c8af8e14942aa1338f3c8ccf6f0 |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-aeff2c8af8e14942aa1338f3c8ccf6f02025-08-20T03:50:12ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-07-0181757358110.1107/S2056989025004748jq2040Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylateWeronika Łukaszczyk0Allegra Lohse1Julia Leibing2Sudem Yildizbas3Irwana Rizvanovic4Simone Techert5Jose de Jesus Velazquez-Garcia6Faculty of Chemistry, Jagiellonian University in Kraków, Gronostajowa 2, 30-387, Kraków, PolandGymnasium Altona, Hohenzollernring 57-61, 22763 Hamburg, GermanyBS 06 Berufliche Schule Chemie, Biologie, Pharmazie, Agrarwirtschaft, Ladenbeker Furtweg 151, 21033 Hamburg, GermanyBS 06 Berufliche Schule Chemie, Biologie, Pharmazie, Agrarwirtschaft, Ladenbeker Furtweg 151, 21033 Hamburg, GermanyBS 06 Berufliche Schule Chemie, Biologie, Pharmazie, Agrarwirtschaft, Ladenbeker Furtweg 151, 21033 Hamburg, GermanyDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, GermanyDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, GermanyThe 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.https://journals.iucr.org/paper?S2056989025004748crystal structuretrimesic acid2-methylimidazolium |
| spellingShingle | Weronika Łukaszczyk Allegra Lohse Julia Leibing Sudem Yildizbas Irwana Rizvanovic Simone Techert Jose de Jesus Velazquez-Garcia Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate Acta Crystallographica Section E: Crystallographic Communications crystal structure trimesic acid 2-methylimidazolium |
| title | Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate |
| title_full | Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate |
| title_fullStr | Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate |
| title_full_unstemmed | Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate |
| title_short | Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate |
| title_sort | crystal structure of tris 2 methyl 1h imidazol 3 ium benzene 1 3 5 tricarboxylate |
| topic | crystal structure trimesic acid 2-methylimidazolium |
| url | https://journals.iucr.org/paper?S2056989025004748 |
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