Fig. 5. Effect of temperature on the structure and energy framework analysis of compound 1.

a, b Molecular geometry and packing at 298 K (a) and 100 K (b). The arrows indicate the torsional angles discussed in the text. c Energy bars showing the interaction energies. The blue bars represent the interactions between molecules, and their thickness indicates the value of interaction energy. d Energy frameworks viewed along the b axis are consistent with the qualitative requirements for bending. e Parallel packing structure, and the purported expansion and contraction of the outer and inner arcs of the crystal that are suggested to occur during the bending of the crystal.