Acta Cryst. (2005). E61, o2008-o2011  [ doi:10.1107/S1600536805017149 ]

Brucinium 2-carboxy-6-nitrophthalate dihydrate: the 1:1 proton-transfer compound of brucine with 3-nitrophthalic acid

G. Smith, U. D. Wermuth, D. J. Young and P. C. Healy

Abstract: In the title compound (systematic name: 2,3-dimethoxy-10-oxostrychnidinium 2-carboxy-6-nitrophthalate dihydrate), C₂₃H₂₇N₂O₄⁺·C₈H₄NO₆^-·2H₂O, the carboxylic acid and carboxylate groups of the hydrogenphthalate anions form head-to-tail catemeric chains of strong intermolecular O-HO hydrogen bonds [OO distance = 2.563 (5) Å] along the 2₁ screw axes parallel to the a axis. The chains further associate with the water molecules, forming sheet structures parallel to (010). The protonated N atom at the 19-position of the brucine molecule forms a peripheral intermolecular hydrogen bond with the carboxylate group of the anion.

Online 10 June 2005

Copyright © International Union of Crystallography
IUCr Webmaster