Bromination of [60]Fullerene. II. Crystal and Molecular Structure of [60]Fullerene Bromides, C60Br6, C60Br8, and C60Br24

Abstract The crystal and molecular structures of the bromofullerene solvates C60Br6·0.5C6H5Cl·0.5Br2, C60Br8·1.5(o‐C6H4Cl2), C60Br8·Br2, C60Br8·0.5C6H5Br·0.5Br2, and C60Br24·2Br2 have been determined by single crystal X‐ray diffraction. The molecular species C60Br6, C60Br8, and C60Br24 which have idealized C s , C 2v , and T h symmetries, respectively, have several different types of C‒Br and C‒C bonds. A comparison between different solvates of the same bromofullerenes revealed a larger stability of the packing modes for the C60Br6 and C60Br24 solvates, whereas the C60Br8 solvates showed different packing motifs dependent on the nature and amount of the solvent molecules.