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3-Carb-oxy-quinolin-1-ium-2-carboxyl-ate monohydrate.

ABSTRACT: The title compound, C(11)H(7)NO(4)·H(2)O, contains a 3-carb-oxy-quinolin-1-ium-2-carboxyl-ate (qda) zwitterion and one water mol-ecule. In the crystal, pairs of N-H?O hydrogen bonds link the mol-ecules into inversion dimers, and these dimers are further connected by O-H?O hydrogen bonds into a three-dimensional supra-molecular architecture. In addition, ?-? inter-actions occur between pyridine and benzene rings from different qda ligands [centroid-centroid distance = 3.749?(1)?Å] and the dihedral angles of the -CO(2)H and -CO(2) groups to the quinoline system are 8.47?(3) and 88.16?(6)°, respectively.

SUBMITTER: Wang X

PROVIDER: S-EPMC3297889 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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3-Carb-oxy-quinolin-1-ium-2-carboxyl-ate monohydrate.

Wang Xing X Liu Chun-Bo CB Yan Yong-Sheng YS Wang Shen-Tang ST Zhang Qing Q

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

The title compound, C(11)H(7)NO(4)·H(2)O, contains a 3-carb-oxy-quinolin-1-ium-2-carboxyl-ate (qda) zwitterion and one water mol-ecule. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers, and these dimers are further connected by O-H⋯O hydrogen bonds into a three-dimensional supra-molecular architecture. In addition, π-π inter-actions occur between pyridine and benzene rings from different qda ligands [centroid-centroid distance = 3.749 (1) Å] and the dihedra ...[more]

PMID: 22412692

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