Two-component Supramolecular Adduct based on Hydroxyl Substituted Triptycene with 4,4’-bipyridine: Crystal Structure Analysis

Abstract

A new cocrystal solvate possessing 2,7,14-trihydroxytriptycene (THT) and 4,4′-bipyridine (bpy) was grown from a MeOH solution by solvent evaporation to form THT·0.5bpy·MeOH·H2O (1).The crystal structure of 1 was determined by single-crystal X-ray diffraction in the monoclinic space group C2/c. In the new cocrystal solvate (1), the asymmetric unit consists of one unit of THT, a half unit of disordered bpy, one unit of a water molecule and one MeOH molecule. A 2D supramolecular architecture is observed in (1) linking THT, bpy and solvent water molecules via classical O-H···N and O-H···O hydrogen bonds. The MeOH and water molecules entrapped in (1) form stabilizing hydrogen bondswith the surrounding “trimeric cocrystals.” Furthermore, we investigated whether these hydrogen bonds stabilize the crystal packing. The calculations were carried out using Hydrogen Bond Statistics and Full Interaction Maps packages, and the results exhibit common bonding behaviour in terms of bond distances and strength.