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5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate
In the title compound, C(8)H(10)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxylate groups is deprotoned, forming a zwitterion. An intramolecular O—H⋯O hydrogen bond occurs. The crystal structure is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds. In addition...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152056/ https://www.ncbi.nlm.nih.gov/pubmed/21837204 http://dx.doi.org/10.1107/S1600536811024767 |
| _version_ | 1782209717344403456 |
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| author | Du, Chao-Jun Shi, Zheng-Hai Wang, Li-Sheng Du, Chao-Ling |
| author_facet | Du, Chao-Jun Shi, Zheng-Hai Wang, Li-Sheng Du, Chao-Ling |
| author_sort | Du, Chao-Jun |
| collection | PubMed |
| description | In the title compound, C(8)H(10)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxylate groups is deprotoned, forming a zwitterion. An intramolecular O—H⋯O hydrogen bond occurs. The crystal structure is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds. In addition, intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the molecules into two-dimensional networks parallel to (10[Image: see text]). |
| format | Online Article Text |
| id | pubmed-3152056 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-31520562011-08-11 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate Du, Chao-Jun Shi, Zheng-Hai Wang, Li-Sheng Du, Chao-Ling Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(10)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxylate groups is deprotoned, forming a zwitterion. An intramolecular O—H⋯O hydrogen bond occurs. The crystal structure is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds. In addition, intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the molecules into two-dimensional networks parallel to (10[Image: see text]). International Union of Crystallography 2011-06-30 /pmc/articles/PMC3152056/ /pubmed/21837204 http://dx.doi.org/10.1107/S1600536811024767 Text en © Du et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Du, Chao-Jun Shi, Zheng-Hai Wang, Li-Sheng Du, Chao-Ling 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate |
| title | 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate |
| title_full | 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate |
| title_fullStr | 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate |
| title_full_unstemmed | 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate |
| title_short | 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate |
| title_sort | 5-carboxy-2-isopropyl-1h-imidazol-3-ium-4-carboxylate monohydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152056/ https://www.ncbi.nlm.nih.gov/pubmed/21837204 http://dx.doi.org/10.1107/S1600536811024767 |
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