Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-dicarboxybenzoate
The structure of the title salt, C4H7N2+·C9H5O6− (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 counterpa...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2023-11-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989023009209 |
| _version_ | 1797635654942720000 |
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| author | Sofiia Baletska Simone Techert Jose de Jesus Velazquez-Garcia |
| author_facet | Sofiia Baletska Simone Techert Jose de Jesus Velazquez-Garcia |
| author_sort | Sofiia Baletska |
| collection | DOAJ |
| description | The structure of the title salt, C4H7N2+·C9H5O6− (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. |
| first_indexed | 2024-03-11T12:23:29Z |
| format | Article |
| id | doaj.art-25c91c8747d245959152bb3d990992cd |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-03-11T12:23:29Z |
| publishDate | 2023-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-25c91c8747d245959152bb3d990992cd2023-11-06T14:46:42ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902023-11-0179111088109210.1107/S2056989023009209jq2031Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-dicarboxybenzoateSofiia Baletska0Simone Techert1Jose de Jesus Velazquez-Garcia2School of Physics, V. N. Karazin Kharkiv National University, 4 Svobody Sq., Kharkiv 61022, UkraineDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, GermanyDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, GermanyThe structure of the title salt, C4H7N2+·C9H5O6− (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.http://scripts.iucr.org/cgi-bin/paper?S2056989023009209crystal structure2-methylimidazoletrimesic acid |
| spellingShingle | Sofiia Baletska Simone Techert Jose de Jesus Velazquez-Garcia Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-dicarboxybenzoate Acta Crystallographica Section E: Crystallographic Communications crystal structure 2-methylimidazole trimesic acid |
| 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 | crystal structure 2-methylimidazole trimesic acid |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989023009209 |
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