Molecular association in 2-bromo-2-chloro-1,1,1-trifluoroethane (Halothane)

Single crystal of a general anesthetic Halothane, BrClCHCF3, have been grown by isochoric freezing and its structure determined by X-ray diffraction at 1.85(5) GPa. The electrostatic repulsion associated with the closest intermolecular contacts in this structure is consistent with the lower freezing and boiling points and higher vapor pressure of Halothane compared to its analogues anesthetics without fluorine atoms.