Topology parameters, including electron density(ρ), Laplacian electron density (∇²ρ), potential energy density [V(r)], total energy density [H(r)], and hydrogen bonding energy [E_HB (kcal mol⁻¹)] at the bond critical point of the non-covalent interactions (D⋯HA) for conformers 2A and 2B at the B3LYP/6-31++G** level.

Compound	Interaction	BCP	d (Å)	∠D⋯HA	∇2ρ	V(r)	G(r)	H(r)	E HB
2A
	N⋯HO	(3, −1)	1.994	140.95	0.0742	−0.0197	0.0191	−0.0006	−06.18
	N⋯HO	(3, −1)	1.762	145.50	0.1151	−0.0354	0.0321	−0.0033	−11.10
	ArH⋯N	(3, −1)	2.265	123.12	0.0577	−0.0110	0.0127	0.0017	−3.45
2B
	N⋯HO (7HB)	(3,−1)	1.663	163.25	0.1240	−0.0437	0.0374	−0.0064	−13.71
	N⋯HO (6HB)	(3, −1)	1.746	147.09	0.1165	−0.0364	0.0327	−0.0036	−11.42
	ArH⋯HAr	(3, −1)	2.144		0.0471	−0.0056	0.0087	0.0030	−1.76