biostudies-literatureUnknown66(Pt 6)Stilinovic VThe title compound, C(13)H(11)NO(4)·H(2)O, is a monohydrate of a betaine exhibiting a positively charged N-substituted isoquino-line group and a deprotonated carboxyl group. In the crystal, mol-ecules are connected via short O-H?O hydrogen bonds between protonated and deprotonated carboxyl groups into chains of either R or S enanti-omers along [001]. These chains are additionally connected by hydrogen bonding between water mol-ecules and the deprotonated carb-oxy groups of neighbouring mol-ecules.Acta crystallographica. Section E, Structure reports onlineo1427https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979612biostudies-literature(R,S)-3-Carb-oxy-2-(isoquinolinium-2-yl)propanoate monohydrate.PMC2979612Kaitner BStilinovic VFrkanec Lfalse(R,S)-3-Carb-oxy-2-(isoquinolinium-2-yl)propanoate monohydrate.The title compound, C(13)H(11)NO(4)·H(2)O, is a monohydrate of a betaine exhibiting a positively charged N-substituted isoquino-line group and a deprotonated carboxyl group. In the crystal, mol-ecules are connected via short O-H?O hydrogen bonds between protonated and deprotonated carboxyl groups into chains of either R or S enanti-omers along [001]. These chains are additionally connected by hydrogen bonding between water mol-ecules and the deprotonated carb-oxy groups of neighbouring mol-ecules.2010-01-01T00:00:00Z2010 May2021-02-27T08:27:40Z2019-03-27T00:00:25ZS-EPMC29796122157950310.1107/S1600536810018428