Table 4. Topological Parameters for Intermolecular Interactions (in Different Dimers of Compound 1) at Their (3, −1) BCPs^a.

interaction	Rij	ρ(r)	∇2ρ(r)	V(r)	G(r)	H(r)		De
I
C8–H8···C3A	2.928	0.079	0.981	–18.8	22.8	4.0	0.83	2.3
S1A···C1	3.414	0.053	0.613	–11.4	14.1	2.6	0.81	1.4
II
S2···Cl1	3.421	0.059	0.737	–12.3	16.2	3.9	0.76	1.5
III
C6A–H6A···N2	2.362	0.079	1.163	–20.0	25.8	5.9	0.77	2.4
C6A–H6A···N1	2.451	0.073	1.167	–18.8	25.3	6.5	0.74	2.3
C5A–H5A···S1A	3.021	0.035	0.408	–6.1	8.6	2.5	0.71	0.7
IV
C19–H19···S1A	2.818	0.060	0.645	–12.0	14.8	2.8	0.81	1.4
C13–H13B···C6A	2.810	0.042	0.437	–7.4	9.7	2.2	0.77	0.9
V
F1···C10(π)	3.839	0.019	0.261	–3.9	5.5	1.6	0.70	0.5
VI
C9–H9···F1	2.249	0.068	1.149	–19.1	25.2	6.1	0.76	2.3

^aDefinitions: R_ij, bond path (Å); ρ(r), electron density (e Å^–3); ∇²ρ(r), Laplacian of electron density (e Å^–5); V(r), potential electron density (kJ mol^–1 br^–3); G(r), kinetic electron density (kJ mol^–1 br^–3); H(r), total electronic energy density (kJ mol^–1 br^–3); D_e, dissociation energy (kcal mol^–1).