The crystallography of supramolecular host–guest complexes is reviewed and discussed as a part of small molecule crystallography. In these complexes, the host binds the guests through weak supramolecular interactions, such as hydrogen and halogen bonding, cation–π, anion–π, C–H–π, π–π, C–H–anion interactions and the hydrophobic effect. As the guest often shows severe disorder, large thermal motion and low occupancies, the reliable crystallographic determination of the guest can be very demanding. The analysis of host–guest interactions using tools such as Hirshfeld and cavity volume surface analysis will help to look closely at the most important host–guest interactions. The jewel in the crown of utilizing host–guest interactions in the solid-state is the recently developed Crystalline Sponge Method (CSM) by Makoto Fujita. This method, when successful, gives an accurate and unambiguous 3-D structure of the structurally unknown guest molecule from only micro- or nanogram amounts of the guest molecule. In the case of an optically pure enantiomer, its absolute configuration can be determined.

中文翻译：

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包封分子的晶体学

超分子宿主-客体复合物的晶体学作为小分子晶体学的一部分进行了回顾和讨论。在这些络合物中，主体通过弱的超分子相互作用（例如氢和卤素键，阳离子-π，阴离子-π，CH-H-π，π-π，CH-H-阴离子相互作用和疏水作用）与客体结合。由于客人经常表现出严重的不适，大的热运动和低占用率，因此对客人进行可靠的晶体学测定可能是非常苛刻的。使用Hirshfeld等工具进行的主客互动和腔体表面分析，将有助于仔细研究最重要的主客互动。利用固态中主客体相互作用的皇冠上的明珠是藤田诚（Makoto Fujita）最近开发的结晶海绵法（CSM）。这种方法 当成功时，仅从微克或纳克量的客体分子中给出结构上未知的客体分子的准确且明确的3-D结构。在光学纯对映体的情况下，可以确定其绝对构型。