Molecular inclusion in functionalized macrocycles. 4. The crystal and molecular structure of the cyclo {tetrakis[(5-tert-butyl-2-acetoxy-1,3-phenylene)methylene]}-acetic acid (1:1) clathrate

The crystal and molecular structure of the acetic acid (1:1) clathrate formed by cyclo{tetrakis[(5-t-butyl-2-acetoxy-1,3-phenylene)methylene]} is reported. The configuration of the macrocycle is such that three acetoxy groups are oriented on one side with intramolecular contacts forcing two facing phenolic units to be almost parallel. The acetic acid molecules, which are joined in dimers by hydrogen bonding, occupy centrosymmetric cavities in the host structure, whose size of 168 Å3 is comparable with the Van der Waals volume of the dimer of 146 Å3