Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex

The title inclusion complex, C(36)H(36)N(24)O(12)·C(8)H(14)N(2) (2+)·2I(−)·10H(2)O, displays a large ellipsoidal deformation of the cucurbit[6]uril (CB[6]) skeleton upon complex formation. The benzene ring of the cation is rotationally disordered between two orientations in a ratio of 3:1. The solve...

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Detalles Bibliográficos
Autores principales: Huang, Wei-Hao, Zavalij, Peter Y., Isaacs, Lyle
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961735/
https://www.ncbi.nlm.nih.gov/pubmed/21202946
http://dx.doi.org/10.1107/S1600536808018412
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author Huang, Wei-Hao
Zavalij, Peter Y.
Isaacs, Lyle
author_facet Huang, Wei-Hao
Zavalij, Peter Y.
Isaacs, Lyle
author_sort Huang, Wei-Hao
collection PubMed
description The title inclusion complex, C(36)H(36)N(24)O(12)·C(8)H(14)N(2) (2+)·2I(−)·10H(2)O, displays a large ellipsoidal deformation of the cucurbit[6]uril (CB[6]) skeleton upon complex formation. The benzene ring of the cation is rotationally disordered between two orientations in a ratio of 3:1. The solvent H(2)O mol­ecules form a hydrogen-bonded network by inter­action with the carbonyl groups of CB[6] and the I(−) counterions. The crystal studied exhibited non-merohedral twinning. Both CB[6] and the cation are centrosymmetric.
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spelling pubmed-29617352010-12-30 Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex Huang, Wei-Hao Zavalij, Peter Y. Isaacs, Lyle Acta Crystallogr Sect E Struct Rep Online Organic Papers The title inclusion complex, C(36)H(36)N(24)O(12)·C(8)H(14)N(2) (2+)·2I(−)·10H(2)O, displays a large ellipsoidal deformation of the cucurbit[6]uril (CB[6]) skeleton upon complex formation. The benzene ring of the cation is rotationally disordered between two orientations in a ratio of 3:1. The solvent H(2)O mol­ecules form a hydrogen-bonded network by inter­action with the carbonyl groups of CB[6] and the I(−) counterions. The crystal studied exhibited non-merohedral twinning. Both CB[6] and the cation are centrosymmetric. International Union of Crystallography 2008-06-21 /pmc/articles/PMC2961735/ /pubmed/21202946 http://dx.doi.org/10.1107/S1600536808018412 Text en © Huang et al. 2008 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
Huang, Wei-Hao
Zavalij, Peter Y.
Isaacs, Lyle
Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex
title Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex
title_full Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex
title_fullStr Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex
title_full_unstemmed Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex
title_short Cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex
title_sort cucurbit[6]uril p-xylylenediammonium diiodide deca­hydrate inclusion complex
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961735/
https://www.ncbi.nlm.nih.gov/pubmed/21202946
http://dx.doi.org/10.1107/S1600536808018412
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AT isaacslyle cucurbit6urilpxylylenediammoniumdiiodidedecahydrateinclusioncomplex

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