Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 6 (June 2007)

organic compounds

gd3095 scheme

Acta Cryst. (2007). C63, o319-o322 [ doi:10.1107/S0108270107013352 ]

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

L. R. Nassimbeni and H. Su

Abstract: 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 C₁₈H₂₀O₂·C₆H₅ClO, 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] )^½], and yield activation energies of 105 (8) and 96 (8) kJ mol^-1, respectively.

Formula: Two isomers of C₁₈H₂₀O₂·C₆H₅ClO


	Structure factor file (CIF format) (177.1 kbytes) [ doi:10.1107/S0108270107013352/gd3095Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (184.9 kbytes) [ doi:10.1107/S0108270107013352/gd3095IIsup3.hkl ] Contains datablock II

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