Table 4.
Topological parameters of the title compound at critical point.
| Critical points | ρ (u.a) | Δρ (u.a) | H(r) (u.a) | G(r) (u.a) | V(r) (u.a) | Eint (kJ mol-1) | ||
|---|---|---|---|---|---|---|---|---|
| Monomer | RCP1 | 0.0213 | 0.1554 | 0.0074 | 0.0314 | −0.0239 | - | |
| RCP2 | 0.0376 | 0.2290 | 0.0055 | 0.0517 | −0.0462 | - | ||
| Dimer | BCP1 | 0.2819 | −0.9714 | −0.2806 | 0.0378 | −0.3185 | −417.9796 | |
| RCP2 | 0.0212 | 0.1547 | 0.0074 | 0.0312 | −0.0238 | - | ||
| RCP2 | 0.0379 | 0.2312 | 0.0054 | 0.0523 | −0.0468 | - | ||
| NRCP1 | 0.0079 | 0.0310 | 0.0068 | 0.0068 | −0.0059 | - | ||