Synthesis and X-ray structure of the inclusion complex of dodecamethylcucurbit[6]uril with 1,4-dihydroxybenzene
Synthesis and X-ray structure of the inclusion complex of dodecamethylcucurbit[6]uril with 1,4-dihydroxybenzene
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DOI：
10.3390/12040716
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发表时间：
2007-04-01
期刊：
影响因子：
4.6
通讯作者：
Tao, Zhu
中科院分区：
文献类型：
--
作者：
Lu, Li-Bin;Zhang, Yun-Qian;Tao, Zhu
报道了十二甲基瓜环[6]（DDMeQ[6]）与1，4-苯二酚（DHOBEN）包结主客体配合物的合成和晶体结构。该配合物的结晶空间群为P2 I /c（No.14），a = 12.2847（4），B = 12.6895（4），c = 15.1310（4）A，alpha = 74.6960（10），beta = 71.4090（10），gamma = 86.5090（10）度，Z = 1。本文还介绍了一种合成十二甲基葫芦[6]脲的新方法。为了分离十二甲基葫芦[6]脲，使用1，4-二羟基苯作为客体分子用于结晶完全甲基取代的葫芦脲。自组装包结主-客体复合物的驱动力不仅来源于十二甲基葫芦[6]脲（主体）的空穴相互作用，还来源于主体入口处的羰基氧与客体羟基之间的氢键作用。
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 P2 I /c (No. 14) with a = 12.2847(4), b = 12.6895(4), c = 15.1310(4) A, alpha = 74.6960(10), beta = 71.4090(10), gamma = 86.5090(10)degrees 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.