Table 3. Electrostatic potential charge (V ESP) for each hydrogen atom donor and acceptor in (I) participating in a close contact identified through Hirshfeld surface analysis.
| Contact | Electrostatic potential, V ESP (a.u.) | Δ|V ESP| | |
|---|---|---|---|
| H-donor | H-acceptor | ||
| H2N⋯O1 | 0.1446 | −0.0654 | 0.2100 |
| H1O⋯S1 | 0.1488 | −0.0607 | 0.2095 |
| H1N⋯O3 | 0.1248 | −0.0601 | 0.1849 |
| H9⋯C1 | 0.0441 | −0.0119 | 0.0560 |
| H3B⋯H8 | 0.0066 | 0.0229 | 0.0163 |
| C5⋯O3 | 0.0581 | −0.0562 | 0.1143 |
| H2A⋯S1 | 0.0239 | −0.0589 | 0.0828 |
| H9⋯S1 | 0.0219 | −0.0458 | 0.0677 |