(R,S)-3-Carb-oxy-2-(isoquinolinium-2-yl)propanoate monohydrate

Acta Crystallogr Sect E Struct Rep Online. 2010 May 22;66(Pt 6):o1427. doi: 10.1107/S1600536810018428.

Abstract

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.