Two-Component Supramolecular Adduct Based on Hydroxyl Substituted Triptycene with 4,4’-Bipyridine: Crystal Structure Analysis

A new cocrystal solvate possessing 2,7,14-trihydroxytriptycene (THT) and 4,4′-bipyridine (bpy) is grown from a MeOH solution by solvent evaporation to form THT·0.5bpy·MeOH·H₂O (1). The crystal structure of 1 is determined by single crystal X-ray diffraction in the monoclinic space group C2/c. In 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, which links 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 bonds with the surrounding “trimeric cocrystals”. Furthermore, we investigate whether these hydrogen bonds stabilize the crystal packing or not. The calculations are carried out using Hydrogen Bond Statistics and Full Interaction Maps packages, and the results exhibit the common bonding behaviour in terms of bond distances and strength.