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.
Highlights
Key Laboratory for Special Functional Aggregated Materials of the Education Ministry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People’s Republic of China
C9HI3O62H2O, 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
Summary
8,10-Diiodo-2,6-dioxo-4k3-ioda-3,5dioxatricyclo[5.3.1.04,11]undeca1(11),7,9-triene-9-carboxylic acid Key Laboratory for Special Functional Aggregated Materials of the Education Ministry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People’s Republic of China R factor = 0.042; wR factor = 0.097; data-to-parameter ratio = 16.6.
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