Crystal | Conformational energy (kcal mol −1) | Conformational deformation energy (kcal mol −1) | van der Waals energy (kcal mol −1) | Coulomb energy (kcal mol −1) | Remaining energy (kcal mol −1) | Lattice energy (kcal mol −1) |
---|---|---|---|---|---|---|
I | 0.0 | 0.7 | −33.2 | −9.7 | 2.9 | −39.4 |
II | 0.0 | 0.2 | −34.6 | −9.5 | 1.5 | −42.5 |
IIIa | 1.6 | 1.0 | −36.2 | −9.3 | 2.1 | −40.8 |
IIIb | 0.0 | 1.0 | −34.9 | −11.4 | 0.0 | −45.3 |
IV | 0.0 | 1.4 | −38.4 | −8.7 | 1.8 | −43.9 |