对称四甲基六元瓜环、钠离子、对硝基苯酚三元配合物的晶体结构

摘要

在有机分子存在条件下,制备得到对称四甲基六元瓜环(TMeQ[6])与Na离子的晶体,并利用单晶X-射线衍射分析方法对其结构进行了测定.结果表明,在对硝基苯酚存在条件下,两个Na离子分别与TMeQ[6]两个端口的两个羰基氧原子直接配位,形成典型的“分子胶囊”结构.“分子胶囊”间通过共用水分子而形成了一维超分子链.而NO2-Ph-OH通过与TMeQ[6]的π-π堆砌和C-H…π相互作用有序地排列在超分子链的周围.%In the presence of an organic compound,p-nitrophenol, single crystals of symmetric tetramethyl cucurbituril ( TMeQ [ 6 ] ) and Na + cations were synthesized and characterized by single crystal X-ray diffraction analysis. The crystal structure of the compound revealed that two sodium cations coordinated to two portals of a TMeQ [6] molecule respectively and formed a molecular capsular shell in a conformation of one-dimensional chain through hydrogen bonding. p-Nitrophenol molecules surround the chains through π - π stacking and C - H…π interaction.