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首页> 外文期刊>Crystal growth & design >Crystalline host-guest complexes of constitutionally isomeric diol hosts. A structural case study
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Crystalline host-guest complexes of constitutionally isomeric diol hosts. A structural case study

机译：组成异构的二醇主体的结晶主体-客体复合物。结构案例研究

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摘要

The formation of crystalline host-guest complexes of three constitutionally isomeric host compounds 1-3 featuring two diphenylhydroxymethyl groups attached in different positions to a biphenylylene central moiety is studied. Dependent on the connection mode (2,2′-, 3,3′-, or 4,4′-) with reference to the biphenylylene unit, a distinctly different complex behavior of the host compounds is observed. X-ray crystal structures of the solvent-free hosts are reported including a third polymorph with respect to already known polymorphous structures. The crystal structures of eight host-guest complexes of 1-3, including a pair of complexes differing only in the host/guest stoichiometry, are described and comparatively discussed covering the structures of known complex species of the isomeric hosts. Correlations between the constitutional isomerism of the host molecules and their conformational as well as packing structures in the crystalline state, both in unsolvated and solvent complexed form, are demonstrated providing potential usefulness in the future design of crystalline host-guest complexes.
机译：研究了三种结构异构体主体化合物1-3的结晶主体-客体复合物的形成，所述主体主体化合物1-3具有在不同位置连接至联亚苯基中央部分的两个二苯基羟甲基。取决于关于联亚苯基单元的连接方式（2,2'-，3,3'-或4,4'-），观察到主体化合物的截然不同的复杂行为。据报道，相对于已知的多晶型结构，无溶剂基质的X射线晶体结构包括第三多晶型物。描述并比较讨论了八种1-3主客体复合物的晶体结构，包括一对仅在主体/客体化学计量上不同的复合物，涵盖了异构体宿主的已知复合物的结构。宿主分子的组成异构性与其在结晶状态下的构象以及堆积结构之间的相关性，无论是非溶剂化形式还是溶剂络合物形式，都被证明为晶体主体-客体复合物的未来设计提供了潜在的有用性。

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