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

The title inclusion complex, C36H36N24O12·C8H14N22+·2I−·10H2O, 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 o...

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Bibliographic Details
Main Authors: Wei-Hao Huang, Peter Y. Zavalij, Lyle Isaacs
Format: Article
Language:English
Published: International Union of Crystallography 2008-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808018412
Description
Summary:The title inclusion complex, C36H36N24O12·C8H14N22+·2I−·10H2O, 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 H2O 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.
ISSN:1600-5368