Intermolecular Interactions in Crystalline Pentafluoropyridine Under High Pressure: Structure and Compressibility at 0.3 and 1.1 GPa (Preprint)

Abstract : Pentafluoropyridine has been in-situ pressure crystallized in a diamond-anvil cell (DAC) and its structure determined at 0.30(5) GPa and 1.10(5) GPa and at room temperature by single-crystal X-ray diffraction. The freezing pressure of pentafluoropyridine has been determined to be 0.10(5) GPa. The crystals are monoclinic, space group P21/c. The crystal packing is governed by F...F and C/N...F van der Waals contacts, but no ring stacking is observed. The intermolecular interactions are non-directional, and the crystal compresses nearly isotropically between 0.3 and 1.1 GPa.