2. Calculated Topological Parameters (in a.u) of Ligand H₂L.

BCP no.	atoms	ρr	∇2ρr	V r	G r	H r	G r/V r
1	C2–N3	0.339	–0.933	–0.747	0.257	–0.490	0.344
2	C1–H23	0.282	–0.975	–0.319	0.037	–0.281	0.118
3	C1–C2	0.311	–0.876	–0.419	0.100	–0.319	0.239
4	N8–H27	0.333	–1.653	–0.513	0.050	–0.463	0.097
5	N3–C4	0.338	–0.964	–0.719	0.239	–0.480	0.332
6	N3–H27	0.020	0.082	–0.014	0.017	0.003	1.228
7	C7–N8	0.313	–0.882	–0.630	0.205	–0.425	0.325
8	C1–C6	0.310	–0.874	–0.419	0.100	–0.318	0.239
9	N8–N9	0.359	–0.691	–0.520	0.173	–0.346	0.334
10	C4–C7	0.258	–0.633	–0.272	0.057	–0.215	0.209
11	C5–C6	0.311	–0.879	–0.422	0.101	–0.321	0.240
12	C4–C5	0.311	–0.874	–0.419	0.100	–0.319	0.240
13	C6–H26	0.283	–0.984	–0.318	0.036	–0.282	0.113
14	N9–C21	0.370	–0.692	–0.991	0.409	–0.582	0.413
15	C7–O10	0.410	–0.253	–1.318	0.627	–0.690	0.476
16	C5–H25	0.285	–0.999	–0.319	0.035	–0.284	0.108
17	C11–C21	0.273	–0.699	–0.313	0.069	–0.244	0.221
18	C11–C12	0.294	–0.796	–0.369	0.085	–0.284	0.231
19	C12–C13	0.321	–0.913	–0.459	0.115	–0.344	0.251
20	C13–H28	0.276	–0.928	–0.316	0.042	–0.274	0.132
21	C13–C14	0.295	–0.792	–0.376	0.089	–0.287	0.237
22	C11–C16	0.314	–0.880	–0.433	0.107	–0.327	0.246
23	C14–C15	0.291	–0.774	–0.363	0.085	–0.278	0.233
24	C17–H30	0.280	–0.957	–0.318	0.039	–0.279	0.124
25	C17–C18	0.319	–0.909	–0.447	0.110	–0.337	0.246
26	C15–C16	0.300	–0.820	–0.387	0.091	–0.296	0.235
27	C14–C17	0.296	–0.801	–0.377	0.088	–0.289	0.234
28	C18–C19	0.297	–0.807	–0.380	0.089	–0.291	0.235
29	C18–H31	0.282	–0.969	–0.319	0.038	–0.281	0.120
30	C15–C20	0.295	–0.797	–0.373	0.087	–0.286	0.233
31	C19–C20	0.320	–0.915	–0.450	0.111	–0.339	0.246
32	C16–H29	0.284	–0.988	–0.318	0.036	–0.283	0.112
33	C19–H32	0.282	–0.967	–0.319	0.039	–0.281	0.121
34	C12–O22	0.279	–0.358	–0.695	0.303	–0.392	0.436
35	C2–H24	0.286	–0.999	–0.319	0.034	–0.284	0.108
36	C20–H33	0.281	–0.967	–0.318	0.038	–0.280	0.120
37	C21–H34	0.280	–0.955	–0.311	0.036	–0.275	0.116
38	O22–H35	0.366	–2.535	–0.776	0.071	–0.705	0.092