TABLE 2.

Geometrical (bond length) and topological parameters for bonds of interacting atoms of intermolecular hydrogen bonding of NIC-OXA (form I) salt: electron density (ρ_b), Laplacian of electron density (∇²ρ_b), electron kinetic energy density (G_b), electron potential energy density (V_b), total electron energy density (H_b) at the bond critical point (bcp), and estimated interaction energy (E_int).

Hydrogen bonds	Bond length ( $\stackrel{°}{\mathrm{A}}$ )	ρb (a.u.)	$\nabla$ 2 ρb (a.u.)	Gb (a.u.)	Vb (a.u.)	Hb (a.u.)	Eint (kcal mol-1)	Gb/ρb
N8-H9···O24	1.7718	0.041	0.149	0.0006	−0.0385	−0.0379	−12.1	0.0146
N38-H40···O1	1.7663	0.037	0.131	0.0001	−0.0331	−0.0329	−10.4	0.0027
N15-H16···O1	1.7714	0.038	0.125	0.0008	−0.0330	−0.0322	−10.4	0.0212
C22-H23···O25	1.9358	0.029	0.099	−0.0017	−0.0213	−0.0230	−6.7	−0.0576
C41-H42···O2	2.2640	0.017	0.057	−0.0019	−0.0107	−0.0125	−3.4	−0.1138
C41-H42···O1	2.4123	0.013	0.043	−0.0014	−0.0080	−0.0014	−2.5	−0.1102
N38-H39···O14	2.2800	0.013	0.044	−0.0015	−0.0080	−0.0095	−2.5	−0.1154