Inclusion of chlorophenols by 4,4'-(cyclohexane-1,1-diyl)diphenol: structures and kinetics of decomposition.

The structures of the inclusion compounds 4,4'-(cyclohexane-1,1-diyl)diphenol-3-chlorophenol (1/1) and 4,4'-(cyclohexane-1,1-diyl)diphenol-4-chlorophenol (1/1), both C(18)H(20)O(2).C(6)H(5)ClO, are isostructural with respect to the host molecule and are stabilized by extensive host-host, host-guest and guest-host hydrogen bonding. The packing is characterized by layers of host and guest molecules. The kinetics of thermal decomposition follow the R2 contracting-area model, kt = [1 - (1 - alpha)1/2], and yield activation energies of 105 (8) and 96 (8) kJ mol(-1), respectively.