Table 9.
π-Stacking interaction of 3a, [3c-H]+ and mCPBA.
| Imidazole/Imidazolium cation/organic anion | Index | Residue | AA | Distance (Å) | Angle | Offset | Type | Ligand atom(s) |
|---|---|---|---|---|---|---|---|---|
| 3a | 1 | 41A | PHE | 3.78 | 0.49 | 1.13 | P | 1693–1698 |
| [3c-H]+ | 1 | 41A | PHE | 4.15 | 12.71 | 1.59 | P | 1694-1698 & 1700 |
| mCPBA | 1 | 41A | PHE | 3.77 | 4.57 | 0.97 | P | 1686- 1688, 1690- 1692 |