The structure of fl-resorcinol has been determined from neutron diffraction measurements on powder samples at 4.2 K and room temperature. The configuration of the hydroxyl groups is different from that found in a-resorcinol and the intermolecular bond lengths are increased, indicating a weakening of the OH bonds. Translational and librational parameters have been determined from the room-temperature data, and they are similar to those measured in ct-resorcinol. Finally, studies of the internal consistency of the profilerefinement technique ha-'e been carried out for 4.2 K powder data on a-resorcinol.
Constrained TL, TLX and TLS refinements have been used, with the powder-profile method, in the analysis of accurate neutron powder data for deuterated aresorcinol at room temperature. There is good agreement between the translational and librational parameters derived from the TL refinement and those obtained from an equivalent analysis of accurate singlecrystal neutron measurements. The fine details of the benzene ring are lost in the powder analysis, but the molecular orientation and the OH bond angles are in good agreement with the single-crystal values. No significant improvement could be found in the powder fit by applying the full TLS theory and, therefore, the approximate TLX model appears to be adequate for powder data.
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