Crystal structure and supra-molecular features of a bis-urea-functionalized pillar[5]arene.

The crystal structure of a bis-urea derivative based on A1/A2-functionalized pillar[5]arene ( DUP ) that encapsulates dimethyl formamide ( DMF ) inside the macrocyclic cavity is reported. The crystal structure of DUP·DMF , C 63 H 70 N 4 O 12 ·C 3 H 7 NO, reveals that out of two urea functionalized spacers, one arm is oriented above the macrocyclic cavity with strong hydrogen-bonding inter-actions between the urea H atoms and DMF guest, whereas, the other arm is positioned away from the macrocycle, leading to inter-molecular hydrogen-bonding inter-actions between the urea H atoms of two adjacent pillar[5]arene macrocycles, resulting in the formation of a supra-molecular dimer.