Structural Rationalization of the Phase Transition Behavior in a Solid Organic Inclusion Compound: Bromocyclohexane/Thiourea

Structural properties of the bromocyclohexane/thiourea
inclusion
compound have been determined using both single-crystal and powder
X-ray diffraction over a range of temperatures above and below a first-order
phase transition at 233 K in this material. The results demonstrate
marked contrasts to the phase transition behavior in the prototypical
cyclohexane/thiourea inclusion compound, demonstrating that relatively
small changes in molecular geometry (in this case bromine substitution)
can have a profound influence on the structural properties of the
low-temperature phase in such materials.