[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][CIF check Report][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o706  [ doi:10.1107/S1600536812005351 ]

8,10-Diiodo-2,6-dioxo-4[lambda]3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene-9-carboxylic acid

D. Sheng, L. Han, Y. Zhang and Y. Yang

Abstract: In the title compound, C9HI3O6·2H2O, the molecule is located on a twofold axis that gives rise to disorder of the carboxyl group. This disorder is correlated with the disorder of one of the H atoms of the water molecule. The carboxyl group is twisted relative to the attached benzene ring by 75.1 (4)°. The intramolecular I...O distance is 2.112 (6) Å. Molecules are linked via O-H...O hydrogen bonding, C-I...O halogen bonding, with I...O distances in the range 3.156 (5)-3.274 (6) Å, and dipolar C=O...C=O interactions between the carboxyl and carboxylate groups, with an O...C distance of 2.944 (10) Å.

Online 17 February 2012


Copyright © International Union of Crystallography
IUCr Webmaster