Parameters | PBT | PBT1 | PBT2 |
Bond lengths (Å) | |||
N11-N12 | 1.341 | 1.342 | 1.341 |
N12-N13 | 1.326 | 1.325 | 1.325 |
C14-C15 | 1.408 | 1.399 | 1.408 |
C15-O16 | 1.343 | 1.351 | 1.333 |
C15-C17 | 1.396 | 1.410 | 1.409 |
C17-C18 | 1.377 | 1.386 | 1.393 |
C18-C19 | 1.398 | 1.396 | 1.389 |
C19-C20 | 1.382 | 1.380 | 1.386 |
Bond angles (˚) | |||
N11-N12-N13 | 116.3 | 116.2 | 116.4 |
C14-C15-C17 | 117.4 | 118.5 | 117.1 |
C15-C17-C18 | 121.3 | 119.0 | 120.9 |
C17-C18-C19 | 121.5 | 122.0 | 121.5 |
C18-C19-C20 | 117.8 | 118.9 | 117.9 |
O16-C15-C17 | 118.0 | 116.4 | 118.2 |
Dihedral angles (˚) | |||
O16-C15-C14-C20 | −179.8 | 179.5 | −179.8 |
O16-C15-C17-C18 | 179.8 | −179.4 | 179.8 |
C14-C15-C17-C18 | 0.1 | −0.2 | 0.1 |
C14-C20-C19-C18 | 0.2 | 0.4 | 0.3 |