Kynurenic Acid Monohydrate

descriptionPublicationkeyboard_double_arrow_right Article 15 Jul 1996Publisher:International Union of Crystallography (IUCr)Journal:Acta Crystallographica Section C Crystal Structure Communications, volume 52, pages 1,827-1,829 (issn: 0108-2701,

Authors: N. Okabe; J. Miura; A. Shimosaki;

doi: 10.1107/s0108270196001734

Kynurenic Acid Monohydrate

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Abstract

In the structure of the title compound, 4-hydroxy-2- quinolinecarboxylic acid monohydrate, C 10 H 7 NO 3 .H 2 O, the carboxyl group is ionized and the ring N atom is protonated giving it a positive charge. The molecule is almost planar. The crystal structure is stabilized both by intermolecular O-H...O and N-H...O hydrogen bonds involving the solvated water molecule and by ring stacking.

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CCDC 126960: Experimental Crystal Structure Determination
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