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

The crystal structure of 1,4-bis(neopentyloxy)pillar[5]arene, C 95 H 140 N 2 O 10 ( 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.