5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate
In the title compound, C8H10N2O4·H2O, 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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2011-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811024767 |
| _version_ | 1818487308778733568 |
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| author | Chao-Jun Du Zheng-Hai Shi Li-Sheng Wang Chao-Ling Du |
| author_facet | Chao-Jun Du Zheng-Hai Shi Li-Sheng Wang Chao-Ling Du |
| author_sort | Chao-Jun Du |
| collection | DOAJ |
| description | In the title compound, C8H10N2O4·H2O, 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 (10overline{2}). |
| first_indexed | 2024-12-10T16:36:10Z |
| format | Article |
| id | doaj.art-f5a943c83ca3435abe8bcdf167eb2bd1 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-10T16:36:10Z |
| publishDate | 2011-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-f5a943c83ca3435abe8bcdf167eb2bd12022-12-22T01:41:25ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-07-01677o1837o183710.1107/S16005368110247675-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrateChao-Jun DuZheng-Hai ShiLi-Sheng WangChao-Ling DuIn the title compound, C8H10N2O4·H2O, 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 (10overline{2}).http://scripts.iucr.org/cgi-bin/paper?S1600536811024767 |
| spellingShingle | Chao-Jun Du Zheng-Hai Shi Li-Sheng Wang Chao-Ling Du 5-Carboxy-2-isopropyl-1H-imidazol-3-ium-4-carboxylate monohydrate Acta Crystallographica Section E |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811024767 |
| work_keys_str_mv | AT chaojundu 5carboxy2isopropyl1himidazol3ium4carboxylatemonohydrate AT zhenghaishi 5carboxy2isopropyl1himidazol3ium4carboxylatemonohydrate AT lishengwang 5carboxy2isopropyl1himidazol3ium4carboxylatemonohydrate AT chaolingdu 5carboxy2isopropyl1himidazol3ium4carboxylatemonohydrate |