Crystal structure and supramolecular features of a host–guest inclusion complex based on A1/A2-hetero-difunctionalized pillar[5]arene

A host–guest supramolecular inclusion complex was obtained from the co-crystallization of A1/A2-bromobutoxy-hydroxy difunctionalized pillar[5]arene ( PilButBrOH ) with adiponitrile ( ADN ), C 47 H 53.18 Br 0.82 O 10 ·C 6 H 8 N 2 . The adiponitrile guest is stabilized within the electron-rich cavity of the pillar[5]arene host via multiple C—H...O and C—H...π interactions. Both functional groups on the macrocyclic rim are engaged in supramolecular interactions with an adjacent inclusion complex via hydrogen-bonding (O—H...N or C—H...Br) interactions, resulting in the formation of a supramolecular dimer in the crystal structure.