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Molecules 2007, 12(4), 716-722; doi:10.3390/12040716
Article

Synthesis and X-ray Structure of the Inclusion Complex of Dodecamethylcucurbit[6]uril with 1,4-Dihydroxybenzene

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Received: 25 February 2007 / Revised: 19 March 2007 / Accepted: 19 March 2007 / Published: 5 April 2007
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Abstract

The synthesis, and X-ray crystal structure of the inclusion host-guest complex of dodecamethylcucurbit[6]uril (DDMeQ[6]) with 1,4-dihydroxybenzene (DHOBEN) are reported. The complex crystallizes in the space group P21/c (No.14) with a =12.2847(4), b = 12.6895(4), c = 15.1310(4) Å, α = 74.6960(10), β = 71.4090(10), γ = 86.5090(10)° and Z = 1. A novel approach to dodecamethylcucurbit[6]uril synthesis is also described. To separate dodecamethylcucurbit[6]uril, 1,4-dihydroxybenzene is used as a guest molecule for crystallization of the fully methyl-substituted cucurbituril. The driving force for the self-assembled inclusion host-guest complex can be attributed to not only the cavity interaction of dodecamethylcucurbit[6]uril (host), but also to the hydrogen bonding between the carbonyl oxygen at the portals of the host and the hydroxy groups of the guest.
Keywords: Dodecamethylcucurbit[6]uril; inclusion host-guest complex; crystal structure Dodecamethylcucurbit[6]uril; inclusion host-guest complex; crystal structure
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Lu, L.-B.; Zhang, Y.-Q.; Zhu, Q.-J.; Xue, S.-F.; Tao, Z. Synthesis and X-ray Structure of the Inclusion Complex of Dodecamethylcucurbit[6]uril with 1,4-Dihydroxybenzene. Molecules 2007, 12, 716-722.

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