A high-pressure polymorph of propionamide from in situ high-pressure crystallisation from solution

Abstract

Abstract The structure of a high-pressure polymorph of propionamide is reported from synchrotron single-crystal X-ray diffraction data. The polymorph was obtained by in situ high-pressure crystallisation from solution in a diamond-anvil cell at 0.9 GPa; its structure is 23% denser than that of the ambient-pressure polymorph at STP. PIXEL lattice and dimer energies calculations indicate that the ambient- and high-pressure polymorphs are energetically competitive. Together with acetamide and formamide, this is the third high-pressure polymorph of an aliphatic amide crystallising as a Z′=2 structure; the H-bonded network is however significantly different from the ones reported for the other two compounds. This study highlights the power of in situ high-pressure crystallisation techniques for accessing novel polymorphic forms of molecular compounds.