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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 D, Han L, Zhang Y, Yang Y - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: 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.

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.

No MeSH data available.


Molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Symmetry code: (i) 1 - x, y, 1.5 + z.
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Fap1: Molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Symmetry code: (i) 1 - x, y, 1.5 + z.


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 D, Han L, Zhang Y, Yang Y - Acta Crystallogr Sect E Struct Rep Online (2012)

Molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Symmetry code: (i) 1 - x, y, 1.5 + z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3295482&req=5

Fap1: Molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Symmetry code: (i) 1 - x, y, 1.5 + z.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: 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.

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.

No MeSH data available.