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

doi:10.3390/12040716

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

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

Li-Bin Lu, Yun-Qian Zhang, Qian-Jiang Zhu* , Sai-Feng Xue and Zhu Tao

Institute of Applied Chemistry, Guizhou University, Guiyang, 550025, People’s Republic of China

* Author to whom correspondence should be addressed.

Received: 25 February 2007; in revised form: 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

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MDPI and ACS Style

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.

AMA Style

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(4):716-722.

Chicago/Turabian Style

Lu, Li-Bin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu. 2007. "Synthesis and X-ray Structure of the Inclusion Complex of Dodecamethylcucurbit[6]uril with 1,4-Dihydroxybenzene." Molecules 12, no. 4: 716-722.

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