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

In the title compound, C(9)HI(3)O(6)·2H(2)O, 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 b...

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Detalles Bibliográficos
Autores principales: Sheng, Daopeng, Han, Lu, Zhang, Yi, Yang, Yanzhao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295482/
https://www.ncbi.nlm.nih.gov/pubmed/22412593
http://dx.doi.org/10.1107/S1600536812005351
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author Sheng, Daopeng
Han, Lu
Zhang, Yi
Yang, Yanzhao
author_facet Sheng, Daopeng
Han, Lu
Zhang, Yi
Yang, Yanzhao
author_sort Sheng, Daopeng
collection PubMed
description In the title compound, C(9)HI(3)O(6)·2H(2)O, 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.
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spelling pubmed-32954822012-03-12 8,10-Diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid Sheng, Daopeng Han, Lu Zhang, Yi Yang, Yanzhao Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(9)HI(3)O(6)·2H(2)O, 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. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3295482/ /pubmed/22412593 http://dx.doi.org/10.1107/S1600536812005351 Text en © Sheng et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Sheng, Daopeng
Han, Lu
Zhang, Yi
Yang, Yanzhao
8,10-Diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid
title 8,10-Diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid
title_full 8,10-Diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid
title_fullStr 8,10-Diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid
title_full_unstemmed 8,10-Diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid
title_short 8,10-Diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid
title_sort 8,10-diiodo-2,6-dioxo-4λ(3)-ioda-3,5-dioxatricyclo­[5.3.1.0(4,11)]undeca-1(11),7,9-triene-9-carb­oxy­lic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295482/
https://www.ncbi.nlm.nih.gov/pubmed/22412593
http://dx.doi.org/10.1107/S1600536812005351
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