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3-Carboxyquinolin-1-ium-2-carboxylate monohydrate

Author(s): Xing Wang | Chun-Bo Liu | Yong-Sheng Yan | Shen-Tang Wang | Qing Zhang

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 68;
Issue: 3;
Start page: o829;
Date: 2012;
Original page

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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