Table 3. Interaction energies of the three most common hydrogen-bonding synthons.
| Hydrogen-bond pattern | |||
|---|---|---|---|
| (2) | (5) | (6) | |
| Interaction energy (kJ mol−1) | −38.561 | −40.541 | −30.069 |
| Hydrogen-bond energy (kJ mol−1) | −7.19 | −8.165 | −25.391 |
| van der Waals energy (kJ mol−1) | −29.337 | −32.51 | −3.577 |
| Electrostatic energy (kJ mol−1) | −2.035 | 0.133 | −1.101 |