对称四甲基六元瓜环与2-戊基苯并咪唑盐酸盐自组装包合物晶体结构  

Crystal structure of self-assembly inclusion complex of tetramethyl-substituted cucurbit [6] uril with 2-pentyl-1H-benzo [d] imidazole hydrochloride

作　　者：易君明[1,2] 张云黔[2] 薛赛凤[2] 陶朱[2] 

机构地区：[1]兴义民族师范学院化学生物系,贵州兴义562400 [2]贵州大学贵州省大环化学及超分子化学重点实验室,贵州贵阳550025

出　　处：《化学试剂》2013年第6期497-500,共4页Chemical Reagents

基　　金：国家自然科学基金资助项目(20972034)

摘　　要：以对称四甲基六元瓜环(TMeQ[6])为主体,2-戊基苯并咪唑盐酸盐(PB)为客体,在水溶液中自组装形成主客体超分子化合物{PB@TMeQ[6]}.Cl.9(H2O),利用X-射线单晶衍射技术对化合物的晶体结构进行了表征。实验结果表明,主客体之间通过多种非共价键作用形成1∶1的主客体包合物,客体的芳环被瓜环包结于空腔内,烷基置于瓜环端口外侧,包合物结构单元之间与共用水分子通过氢键连接成一维超分子链。A novel self-assembly host-guest supramolecular compound { PB@ TMeQ [ 6 ] }· Cl.9 （H2O） of tetramethyl- substituted cucurbit[ 6 ] uril with 2-pentyl-1H-benzo [ d ] imid- azole hydrochloride （PB） was synthesized in aqueous solu- tion, and the crystal structure was determined by X-ray dif- fraction. The experimental results indicate that TMeQ [ 6 ] and PB with a 1： 1 ratio through non-covalent interactions to form an inclusion complex, one end of the guest PB especially the benzimidazole moiety is whole deeply located in the hydropho- bic cavity of TMeQ [ 5 ] and the another end pentyl group is outside and far away from the TMeQ [ 6 ] portal. The host-guest inclusion complex units assembled through hydrogen bonding to form 1D supromolecular chain.

关 键 词：对称四甲基六元瓜环 2-戊基苯并咪唑盐酸盐 主客体超分子化合物 晶体结构 

分 类 号：O641.3[理学—物理化学]