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2-Carb-oxy-6-(quinolin-1-ium-8-yl-oxy)benzoate.

ABSTRACT: In the zwitterionic title compound, C(17)H(11)NO(5), the dihedral angle between the two aromatic rings is 76.90?(7)°. The dihedral angles between the carboxyl groups and the benzene ring are 64.02?(9) and 21.67?(9)°, the larger angle being associated with an intra-molecular N-H?O(carbox-yl) hydrogen bond, resulting from proton transfer from the carb-oxy-lic acid group to the quinoline N atom and giving an S(9) ring motif. In the crystal, mol-ecules are connected by O-H?O hydrogen bonds into chains extending along the b-axis direction. An overall two-dimensional network structure is formed through ?-? inter-actions between the quinoline rings [minimum ring-centroid separation = 3.6068?(6)?Å].

SUBMITTER: Cai LM

PROVIDER: S-EPMC3344484 | biostudies-other | 2012 May

REPOSITORIES: biostudies-other

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2-Carb-oxy-6-(quinolin-1-ium-8-yl-oxy)benzoate.

Cai Li-Mao LM Fang Xin X Lin Mei-Jin MJ Xie Jin J Wang Jun-Dong JD

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the zwitterionic title compound, C(17)H(11)NO(5), the dihedral angle between the two aromatic rings is 76.90 (7)°. The dihedral angles between the carboxyl groups and the benzene ring are 64.02 (9) and 21.67 (9)°, the larger angle being associated with an intra-molecular N-H⋯O(carbox-yl) hydrogen bond, resulting from proton transfer from the carb-oxy-lic acid group to the quinoline N atom and giving an S(9) ring motif. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds into chai ...[more]

PMID: 22590246

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