(b) β-Ket
| Crystal | Pixel | CE | ||||
| A⋯A | C—H⋯π | A⋯A | C—H⋯π | A⋯A | C—H⋯π | |
| E tot | −91.86 | −34.98 | −62.2 | −37.7 | −71.4 | −46.2 |
| E coul | – | – | −152.1 | −16.6 | −133.3 | −15.1 |
| E pol | – | – | −78.0 | −9.1 | −29.0 | −4.7 |
| E energy-dispersive | – | – | −22.3 | −56.1 | −13.3 | −62.8 |
| E rep | – | – | 190.2 | 44.1 | 166.1 | 45.3 |
(b) β-Ket
| Crystal | Pixel | CE | ||||
| A⋯A | C—H⋯π | A⋯A | C—H⋯π | A⋯A | C—H⋯π | |
| E tot | −91.86 | −34.98 | −62.2 | −37.7 | −71.4 | −46.2 |
| E coul | – | – | −152.1 | −16.6 | −133.3 | −15.1 |
| E pol | – | – | −78.0 | −9.1 | −29.0 | −4.7 |
| E energy-dispersive | – | – | −22.3 | −56.1 | −13.3 | −62.8 |
| E rep | – | – | 190.2 | 44.1 | 166.1 | 45.3 |