3-Carboxyquinolin-1-ium-2-carboxylate monohydrate
The title compound, C11H7NO4·H2O, contains a 3-carboxyquinolin-1-ium-2-carboxylate (qda) zwitterion and one water molecule. In the crystal, pairs of N—H⋯O hydrogen bonds link the molecules into inversion dimers, and these dimers are further connected by O—H⋯O hydrogen bonds into a three-dimensi...
| Main Authors: | , , , , |
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| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297889/ |
| Summary: | The title compound, C11H7NO4·H2O, contains a 3-carboxyquinolin-1-ium-2-carboxylate (qda) zwitterion and one water molecule. In the crystal, pairs of N—H⋯O hydrogen bonds link the molecules into inversion dimers, and these dimers are further connected by O—H⋯O hydrogen bonds into a three-dimensional supramolecular architecture. In addition, π–π interactions occur between pyridine and benzene rings from different qda ligands [centroid–centroid distance = 3.749 (1) Å] and the dihedral angles of the –CO2H and –CO2 groups to the quinoline system are 8.47 (3) and 88.16 (6)°, respectively. |
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