Fig. 5. Molecular graph of isolated molecule 1a (as an example) showing the bond paths and Bond Critical Points (BCP) in the studied system. The small green and red spheres indicate the (3, −1) BCP and (3, +1) RCP (Ring Critical Point) in ρ(r), respectively. Dashed bonds show weak intramolecular interactions of the C–H⋯O type.
