Fig. 1. (a) Crystal structure of BODIQU-tBuCZ from the front and side views and spatial molecular arrangement and the packing mode of compound BODIQU-tBuCZ in the crystal. (b) Molecular stacking in the crystal for BODIQU-tBuCZ: green dotted lines: intramolecular C–H⋯F interaction (2.30–2.54 Å); orange dotted lines: intermolecular C–H⋯F interaction (3.71–3.73 Å). (c) Calculated free volume of BODIQU-tBuCZ in the crystalline state. The pink and white parts represent pores and compound molecules in the crystal cell.
