Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system

IUCrData Pub Date : 2024-11-01 DOI:10.1107/S2414314624010733

Mickey Vinodh , Fatemeh H. Alipour , Talal F. Al-Azemi

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Abstract

The crystal structure of a neopentyloxypillar[5]arene with two pyridine molecules encapsulated in the macrocyclic cavity is reported.

The crystal structure of 1,4-bis(neopentyloxy)pillar[5]arene, C₉₅H₁₄₀N₂O₁₀ (TbuP), featuring two encapsulated pyridine molecules, reveals significant host–guest interactions. Interestingly, the pyridine guests are positioned near the neopentyloxy substituents instead of the electron-rich aromatic core of the pillar[5]arene. This spatial arrangement suggests a preference for the pyridine molecules to engage with the aliphatic regions of the host. Detailed analysis of the structural characteristics of this host–guest system (TbuP·2Py), as well as its packing pattern within the crystal network, is presented and discussed.

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1,4-二-（新氧基）柱[5]芳烃和吡啶主客体体系的结构研究。

1,4-二-（新氧基）柱[5]芳烃C95H140N2O10 （TbuP）的晶体结构具有两个包裹的吡啶分子，显示出明显的主客体相互作用。有趣的是，吡啶来宾位于新羟基取代基附近，而不是柱状b[5]芳烃的富电子芳烃核心。这种空间排列表明吡啶分子倾向于与宿主的脂肪族区域结合。详细分析了该主-客体系统（TbuP·2Py）的结构特征，并对其在晶体网络中的填充模式进行了讨论。

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