Abstract: The synthesis, and X-ray crystal structure of the inclusion host-guest complex of dodecamethylcucurbituril (DDMeQ) 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 dodecamethylcucurbituril synthesis is also described. To separate dodecamethylcucurbituril, 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 dodecamethylcucurbituril (host), but also to the hydrogen bonding between the carbonyl oxygen at the portals of the host and the hydroxy groups of the guest.
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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 Dodecamethylcucurbituril with 1,4-Dihydroxybenzene. Molecules 2007, 12, 716-722.
Lu L-B, Zhang Y-Q, Zhu Q-J, Xue S-F, Tao Z. Synthesis and X-ray Structure of the Inclusion Complex of Dodecamethylcucurbituril with 1,4-Dihydroxybenzene. Molecules. 2007; 12(4):716-722.
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 Dodecamethylcucurbituril with 1,4-Dihydroxybenzene." Molecules 12, no. 4: 716-722.