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8,10-Diiodo-2,6-dioxo-4?-ioda-3,5-dioxatricyclo-[5.3.1.0]undeca-1(11),7,9-triene-9-carb-oxy-lic acid.

ABSTRACT: In the title compound, C(9)HI(3)O(6)·2H(2)O, the mol-ecule 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 mol-ecule. The carboxyl group is twisted relative to the attached benzene ring by 75.1?(4)°. The intra-molecular I?O distance is 2.112?(6)?Å. Mol-ecules 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 inter-actions between the carboxyl and carboxyl-ate groups, with an O?C distance of 2.944?(10)?Å.

SUBMITTER: Sheng D 

PROVIDER: S-EPMC3295482 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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8,10-Diiodo-2,6-dioxo-4λ-ioda-3,5-dioxatricyclo-[5.3.1.0]undeca-1(11),7,9-triene-9-carb-oxy-lic acid.

Sheng Daopeng D   Han Lu L   Zhang Yi Y   Yang Yanzhao Y  

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

In the title compound, C(9)HI(3)O(6)·2H(2)O, the mol-ecule 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 mol-ecule. The carboxyl group is twisted relative to the attached benzene ring by 75.1 (4)°. The intra-molecular I⋯O distance is 2.112 (6) Å. Mol-ecules 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 dipola  ...[more]

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