Table 1. Multiple Linear Regression (Intercept of 0) to Estimate the Contribution of Different Parts of the Molecule to the Interaction Energy.
| labela | interaction type | interaction energy per contact/eV | error/eV | significance levelb |
|---|---|---|---|---|
| (ii) | O–H···O (NO2) | –0.55 | 0.04 | *** |
| (v′) | O–H···π (ring near NO2) | –0.18c | 0.05 | ** |
| (iv) | O–H···C (C=C) | –0.23c | 0.06 | *** |
| (v″) | O–H···π (ring near NMe2) | –0.16c | 0.04 | *** |
| (i) | C–H···O (NMe2) | –0.15 | 0.03 | *** |
| (iii) | C–H···O (aromatic CH) | –0.09 | 0.03 | ** |
a
Labels as used in the previous section.
b
Significance levels: ’***’ 0.001; ’**’ 0.01; ’*’ 0.05.
c
Energy per C atom involved in the contact.