Table 3. π-stacking parameters for TFMP and MOP .
All distances are in Å with estimated uncertainties of 0.004. Angles are in ° with estimated uncertainties of 0.2.
Centroid | Normal | Offset | Twist angle |
---|---|---|---|
TFMP – surrounding both rings | |||
4.774 | 4.672 | 0.982 | 59.7 |
4.718 | 4.649 | 0.804 | 59.7 |
4.711 | 4.646 | 0.780 | 59.7 |
4.698 | 4.611 | 0.900 | 59.7 |
5.361 | 2.666 | 4.651 | 0.0 |
MOP – surrounding phenyl rings | |||
4.781 | 4.757 | 0.478 | 64.6 |
4.901 | 4.875 | 0.504 | 64.6 |
5.248 | 2.802 | 4.437 | 0.0 |
MOP – surrounding methoxyphenyl rings | |||
4.849 | 4.658 | 1.348 | 68.1 |
4.831 | 4.64 | 1.345 | 68.1 |
5.248 | 2.938 | 4.349 | 0.0 |