Acta Cryst. (2010). E66, o1427  [ doi:10.1107/S1600536810018428 ]

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

V. Stilinovic, L. Frkanec and B. Kaitner

Abstract: The title compound, C₁₃H₁₁NO₄·H₂O, is a monohydrate of a betaine exhibiting a positively charged N-substituted isoquinoline group and a deprotonated carboxyl group. In the crystal, molecules are connected via short O-HO hydrogen bonds between protonated and deprotonated carboxyl groups into chains of either R or S enantiomers along [001]. These chains are additionally connected by hydrogen bonding between water molecules and the deprotonated carboxy groups of neighbouring molecules.

Online 22 May 2010

Copyright © International Union of Crystallography
IUCr Webmaster