Abstract
The crystalline structure of a new compound containing the 1,3,4-oxadiazole moiety, 4-(5-methyl-1,3,4-oxadiazole-2yl-)-N,N′-dimethyl-phenylamine (MODPA) was determined. It shows a monoclinic structure with space group P21/c and lattice parameters: a=1.02997(6), b=0.64840(4), c=1.58117(10)nm and β=99.4820(10)°. To study the intermolecular interactions in oxadiazole containing organic crystals, X-ray studies on MODPA and 2,5-diphenyl-1,3,4-oxadiazole (DPO) were performed up to 5GPa at room temperature. The Murnaghan equation of state is used to describe the compression behaviour of both substances. From these results, the bulk modulus and its pressure derivative were determined. The values obtained are: K0=6.3GPa and K′0=6.8 for MODPA and K0=7.3GPa and K′0=6.7 for DPO. Additionally, measurements under increasing temperature at ambient pressure were carried out to evaluate the thermal expansion coefficient: α=1.8×10−4K−1 for MODPA and α=1.9×10−4K−1 for DPO.
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