Table 2.

Topological properties of the dapsone molecule

Bonds	ρBCP (e/Å3)	∇2ρ (e/Å5)	ε	V(r) (a.u.)	G(r) (a.u.)	K(r) (a.u.)	L(r) (a.u.)	DI
C1–C2	2.06	− 20.2	0.20	− 0.411	0.101	0.310	0.209	1.34
C2–C3	2.10	− 20.8	0.22	− 0.425	0.104	0.320	0.216	1.42
C3–C4	2.05	− 20.1	0.21	− 0.401	0.096	0.305	0.209	1.28
C4–C5	2.05	− 20.1	0.21	− 0.401	0.096	0.305	0.209	1.28
C5–C6	2.10	− 20.8	0.22	− 0.425	0.104	0.320	0.216	1.34
C1–C6	2.06	− 20.2	0.20	− 0.411	0.101	0.310	0.209	1.28
C7–C8	2.06	− 20.2	0.20	− 0.411	0.101	0.310	0.209	1.34
C8–C9	2.10	− 20.8	0.22	− 0.425	0.104	0.320	0.216	1.42
C9–C10	2.05	− 20.1	0.21	− 0.401	0.096	0.305	0.209	0.86
C10–C11	2.05	− 20.1	0.21	− 0.402	0.096	0.305	0.209	1.29
C11–C12	2.10	− 20.8	0.22	− 0.425	0.104	0.320	0.216	1.34
C7–C12	2.06	− 20.2	0.20	− 0.411	0.101	0.310	0.209	1.29
C1–S1	1.36	− 9.14	0.09	− 0.190	0.048	0.142	0.095	0.86
C7–S1	1.36	− 9.12	0.09	− 0.189	0.048	0.142	0.094	1.42
C4–N1	2.04	− 21.2	0.07	− 0.570	0.175	0.395	0.219	1.07
C10–N2	2.04	− 21.2	0.07	− 0.567	0.174	0.393	0.219	1.07
C2–H1	1.92	− 23.9	0.01	− 0.319	0.035	0.283	0.248	1.42
C3–H2	1.88	− 22.9	0.03	− 0.318	0.040	0.277	0.237	0.93
C5–H3	1.88	− 22.9	0.03	− 0.318	0.040	0.277	0.237	0.96
C6–H4	1.92	− 23.9	0.01	− 0.319	0.035	0.283	0.248	0.84
C8–H5	1.92	− 23.9	0.01	− 0.319	0.035	0.283	0.248	0.93
C9–H6	1.88	− 22.9	0.03	−0.318	0.040	0.277	0.237	0.96
C11–H7	1.88	− 22.9	0.03	− 0.318	0.040	0.277	0.237	0.96
C12–H8	1.92	− 23.9	0.01	− 0.319	0.035	0.283	0.248	0.93
S1–O1	1.93	20.3	0.01	− 0.899	0.555	0.344	− 0.210	1.19
S1–O2	1.93	20.3	0.01	− 0.899	0.555	0.344	− 0.210	1.19
N1–H9	2.30	− 38.5	0.06	− 0.513	0.057	0.456	0.399	0.84
N1–H10	2.30	− 38.5	0.06	− 0.513	0.057	0.456	0.399	0.96
N2–H11	2.30	− 38.5	0.06	− 0.512	0.057	0.456	0.399	0.84
N2–H12	2.30	− 38.5	0.06	− 0.512	0.057	0.456	0.399	0.84