Adamantane-based molecules possessing two or three pyrogallol derivatives as acyclic host molecules were developed to examine their potential to form complexes with pyridinium-based dicationic compounds, which are well known as guest molecules of macrocycles, including calixarenes, pillararenes, and others. The complexation of paraquat (3) with 1,3-bis(3,4,5-trimethoxyphenyl)adamantane (1) in acetone afforded reddish brown cocrystals with a 2 : 1 host : guest complexation stoichiometry. X-ray crystallographic analyses revealed that one guest molecule is included in the space between two adamantane-based molecules possessing bent and rigid frameworks, where donor–acceptor and CH⋯π interactions between 3²⁺ and the trimethoxyphenyl groups in 1 were observed. Further, the mixing of 3 and 1,3,5-tris(3,4,5-trimethoxyphenyl)adamantane (2) gave cocrystals with a 1 : 2 stoichiometry, where one dicationic guest is surrounded by four electron-rich trimethoxyphenyl groups of two molecules of 2, resulting in the formation of charge-transfer complexes through similar non-covalent interactions.

中文翻译：

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含邻苯三酚衍生物与百草枯的无环主体分子的电荷转移配合物的制备和晶体结构†

开发具有两个或三个吡喃三醇衍生物作为无环主体分子的金刚烷类分子，以研究其与基于吡啶鎓的二性化合物形成络合物的潜力，吡啶鎓类二价化合物是众所周知的大环客体分子，包括杯芳烃，柱芳烃等。百草枯（3）与1,3-双（3,4,5-三甲氧基苯基）金刚烷（1）在丙酮中的络合产生红棕色共结晶，其主体：客体络合化学计量比为2：1。X射线晶体学分析表明，一个客体分子包含在两个具有弯曲和刚性骨架的金刚烷类分子之间的空间中，其中3 ²⁺和三甲氧基苯基之间的供体-受体和CH⋯π相互作用观察到1个。进一步地，将3和1,3,5-三（3,4,5-三甲氧基苯基）金刚烷（2）混合得到具有1：2化学计量比的共晶体，其中一个去离子客体被四个富电子的三甲氧基苯基包围。的两个分子2，导致通过类似的非共价相互作用形成的电荷转移络合物。