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Cucurbit[6]uril p-xylylenediammonium diiodide deca-hydrate inclusion complex.

ABSTRACT: 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 mol-ecules form a hydrogen-bonded network by inter-action 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.

SUBMITTER: Huang WH

PROVIDER: S-EPMC2961735 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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Cucurbit[6]uril p-xylylenediammonium diiodide deca-hydrate inclusion complex.

Huang Wei-Hao WH Zavalij Peter Y PY Isaacs Lyle L

Acta crystallographica. Section E, Structure reports online 20080621 Pt 7

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 mol-ecules form a hydrogen-bonded network by inter-action with the carbonyl groups of CB[6] and the I(-) counterions. The crystal studied exhibited non-merohedral twinning. Both CB[6] and the ...[more]

PMID: 21202946

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