Acta Cryst. (2010). E66, o1427 [ doi:10.1107/S1600536810018428 ]
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 . These chains are additionally connected by hydrogen bonding between water molecules and the deprotonated carboxy groups of neighbouring molecules.
Online 22 May 2010
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