Single crystal X-ray diffraction analysis of upper rim functionalized tetrabromo-resorcin[4]arenes are presented and their guest encapsulation abilities are discussed. The Br-atoms either attached directly to resorcinarene rim or extended by methylene group (CH₂–Br). The substituents on the upper-rim plays an important role in the guest encapsulation characteristic of the resorcinarene cavity. In the crystal structure the host–guest supramolecular systems were stabilized by C–H⋯O, C–H⋯π and C⋯H···Br nonbonding interactions. The Hirshfeld surfaces analysis and the related 2D fingerprint plots provided qualitative and quantitative account of the various supramolecular non-bonding interactions present within the crystal.

Graphic Abstract

Guest encapsulation characteristic of tetrabromo-functionalized resorcin[4]arenes.

中文翻译：

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Cavitand型四溴官能间苯二酚[4]芳烃在晶体结构中的封装特性。

提出了上边缘功能化的四溴间苯二酚[4]芳烃的单晶X射线衍射分析，并讨论了它们的客体包封能力。Br原子要么直接连接至间苯二甲烯边缘，要么通过亚甲基（CH ₂ -Br）延伸。上边缘上的取代基在间苯二甲烯腔的客体包封特性中起重要作用。在晶体结构中，主客体超分子体系通过C–H⋯O，C–H⋯π和C⋯H···Br非键相互作用而稳定。Hirshfeld表面分析和相关的2D指纹图提供了晶体中存在的各种超分子非键相互作用的定性和定量分析。

图形摘要

四溴官能化间苯二酚[4]芳烃的客体包封特征。