Date Published: March 01, 2012
Publisher: International Union of Crystallography
Author(s): Daopeng Sheng, Lu Han, Yi Zhang, Yanzhao Yang.
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.
For general background to 1,3,5-triiodobenzene derivatives, see: Morin et al. (1987 ▶); Yu & Watson (1999 ▶). For information on the related compound 1,3,5-triiodo-2,4,6-trimethylbenzene, see: Bosch & Barnes (2002 ▶); Boudjada et al. (2001 ▶); Reddy et al. (2006 ▶). For the crystal structures of 5-amino-2,4,6-triiodoisophthalic acid monohydrate and 5-amino-2,4,6-triiodoisophthalic acid–4,4′-bipyridine N,N′-dioxide–water (1/1/1), see: Beck & Sheldrick (2008 ▶); Zhang et al. (2011 ▶).