Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs

Diffuse X-ray scattering experiments were performed on single crystals of the two most commonly found polymorphs of paracetamol. Diffraction data calculated from simple Monte Carlo models of these forms are in good agreement with the observed data. Investigation of the models show that disordered displacements similar to that in the real crystal can be generated in a model based solely on knowledge of intermolecular potentials and atomic coordinates obtained from a Bragg diffraction experiment. Comparison of the correlated motions between the crystal forms revealed no further insight into the form (II) → (I) transition.