A Structural Investigation of Six Solvates of trans-1,4-Bis(phenylethynyl)-cyclohexane-1,4-diol

The six different solvate structures of trans-1,4-bis(phenylethynyl)-cyclohexane-1,4-diol reported herein show the importance of weak C−H···O bonds and C−H···π interactions in directing crystal packing. The host molecule consists of a unique combination of strong hydrogen bonding (hydroxyl) and weak interactions (phenylethynyl). While strong hydrogen bonds play a central role, the combined influence of the weak interactions is also evident in the structures. It is apparent that the orientation of the phenylethynyl moieties influences the formation of C−H···O and C−H···π interactions. The interesting occurrence of a structure with two different conformers of the host molecule within the same crystal coexisting with ethanol and stabilized by several weak C−H···π interactions is also reported.