Crystal structure of the metastable β-phase of toluene
Résumé
The crystal structure of the metastable β-phase of toluene is determined from single crystal X-ray diffraction data using a Monte-Carlo method coupled to a constrained leastsquares refinement. At 105 K β-toluene is orthorhombic (space group Pbcn; a = 13.85 Å, b = 11.42 Å, c = 7.39 Å ; Z = 8). Relations between the packing of the molecules in this modification and in the normal crystalline α-phase are discussed.