All conformers were used as starting points for CSP, which was performed with low discrepancy sampling of crystal packing variables, using the Global Lattice Energy Explorer software. Crystal structures were generated in the 25 most common space groups with one molecule in the asymmetric unit, then lattice energy minimized with molecular geometries fixed at their gas phase DFT geometries. Intermolecular interactions within the predicted crystal structures were calculated using the FIT atom-atom force field combined with atomic multipole electrostatics. Total energies were calculated as a sum of the force field intermolecular energy and the dispersion corrected DFT energy of the molecular conformer.