Energy framework analysis was used to evaluate the role of individual supramolecular interactions in stabilizing the crystal structures of the ternary and binary cocrystals. Upon comparing the strengths of the I•••N and I•••S interactions (Fig. ) in (tftib)(pyr)1/2 and (tftib)(tpss) binary cocrystals, with energies of -20.4 kJ mol -1 and -13.7 kJ mol -1 , respectively, it can be inferred that the I•••N interaction will likely be favoured in the three-component cocrystal containing both N and S acceptors. As anticipated, 3-comp exhibits the I•••N interaction with an energy value of -19.2 kJ mol -1 , which is very similar to that found in (tftib)(pyr)1/2.