Table 2. Topological analysis of BCPs for selected bonds in VA (first row), (II) (second row), (III) (third row) and (I) (fourth row).

d, intermolecular distance (Å); d1, d2, distance between BCPs and interacting atoms (Å); ρ(r), charge density (a.u.); ∇²ρ(r), Laplacian of electron density (a.u.); ∊, bond ellipticity.

Bond	d	d 1	d 2	ρ(r)	∇2ρ(r)	∊
N2A—O1A	1.349	0.624	0.725	0.328	−0.27	0.02
	1.260	0.588	0.672	0.406	−0.52	0.03
	1.279	0.595	0.684	0.392	−0.48	0.04
	1.282	0.599	0.683	0.386	−0.44	0.03
C5A—N2A	1.295	0.463	0.832	0.372	−1.06	0.31
	1.352	0.532	0.820	0.334	−1.02	0.24
	1.397	0.579	0.818	0.307	−0.80	0.24
	1.352	0.532	0.820	0.335	−1.01	0.27
C5A—C6A	1.478	0.725	0.753	0.280	−0.80	0.13
	1.438	0.686	0.752	0.299	−0.87	0.22
	1.447	0.688	0.759	0.294	−0.84	0.20
	1.456	0.698	0.758	0.290	−0.83	0.19
C5A—C4A	1.485	0.733	0.752	0.275	−0.78	0.12
	1.438	0.689	0.749	0.296	−0.86	0.20
	1.449	0.706	0.743	0.288	−0.83	0.19
	1.459	0.707	0.752	0.285	−0.81	0.18