High pressure structural investigations of 2,5-di(4-pyridyl)-1,3,4-oxadiazole-importance of strain studies for the description of intermolecular interactions

Results of a high pressure x-ray study of 2,5-di(4-pyridyl)-1,3,4-oxadiazole up to 2.5 GPa are presented and discussed. Parameters for the Murnaghan equation of state are derived. The bulk modulus amounts to K0 = 4.6 ± 0.3 GPa and its pressure derivative to K0' = 7.4 ± 0.6. These values are comparable to values of other diphenyl-1,3,4-oxadiazoles. The anisotropy of the compression is analysed using the strain tensor and discussed based on the anisotropy of the intermolecular interactions