PW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.40Å | 1.30Å | |
| F2 | C | sing | 1.40Å | 1.32Å | |
| N1 | C2 | sing | 1.38Å | 1.36Å | |
| N | C2 | doub | 1.32Å | 1.37Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C | F1 | sing | 1.40Å | 1.34Å | |
| C2 | N2 | sing | 1.32Å | 1.39Å | Aromatic |
| C1 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.31Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | F2 | 107.1° | 109.5° |
| F | C | C1 | 112.0° | 109.5° |
| F | C | F1 | 105.1° | 109.5° |
| F2 | C | C1 | 114.1° | 109.5° |
| F2 | C | F1 | 103.8° | 109.4° |
| N1 | C2 | N | 116.2° | 119.2° |
| N1 | C2 | N2 | 118.6° | 119.2° |
| C2 | N1 | H1 | 109.5° | 120.0° |
| C2 | N1 | H2 | 109.5° | 120.0° |
| C2 | N | C1 | 111.8° | 120.8° |
| N | C2 | N2 | 125.2° | 121.6° |
| N | C1 | C | 116.4° | 120.4° |
| N | C1 | C4 | 127.0° | 119.2° |
| C1 | C | F1 | 114.0° | 109.5° |
| C | C1 | C4 | 116.6° | 120.4° |
| C2 | N2 | C3 | 118.4° | 120.7° |
| C1 | C4 | C3 | 114.2° | 118.6° |
| C1 | C4 | H3 | 122.9° | 120.7° |
| N2 | C3 | C4 | 123.4° | 119.2° |
| N2 | C3 | H4 | 118.3° | 120.4° |
| C3 | C4 | H3 | 122.9° | 120.7° |
| C4 | C3 | H4 | 118.3° | 120.5° |
| H1 | N1 | H2 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | F2 | C1 | 124.6° | 120.0° |
| F | C | F2 | F1 | 110.8° | 120.0° |
| F | C | C1 | N | 88.3° | 115.1° |
| F | C | C1 | F1 | 119.2° | 120.1° |
| F | C | C1 | C4 | 92.5° | 65.0° |
| F2 | C | C1 | N | 33.6° | 125.0° |
| F2 | C | C1 | F1 | 118.9° | 120.0° |
| F2 | C | C1 | C4 | 145.6° | 55.0° |
| N1 | C2 | N | N2 | 177.2° | 179.2° |
| N1 | C2 | N | C1 | 177.4° | 180.0° |
| N1 | C2 | N2 | C3 | 175.6° | 179.7° |
| C2 | N1 | H1 | H2 | 120.0° | 179.8° |
| C2 | N | C1 | C | 177.3° | 179.5° |
| C2 | N | C1 | C4 | 1.9° | 0.5° |
| N | C2 | N2 | C3 | 1.5° | 0.5° |
| N | C2 | N1 | H1 | 0.0° | 0.0° |
| N | C2 | N1 | H2 | 120.0° | 179.8° |
| N | C1 | C | C4 | 179.2° | 180.0° |
| N | C1 | C | F1 | 152.6° | 5.0° |
| C1 | N | C2 | N2 | 0.2° | 0.8° |
| N | C1 | C4 | C3 | 1.7° | 0.0° |
| N | C1 | C4 | H3 | 178.3° | 179.7° |
| C | C1 | C4 | C3 | 177.4° | 180.0° |
| C | C1 | C4 | H3 | 2.5° | 0.3° |
| F1 | C | C1 | C4 | 26.7° | 175.0° |
| C2 | N2 | C3 | C4 | 1.8° | 0.1° |
| N2 | C2 | N1 | H1 | 177.4° | 179.2° |
| N2 | C2 | N1 | H2 | 57.4° | 0.5° |
| C2 | N2 | C3 | H4 | 178.3° | 180.0° |
| C1 | C4 | C3 | N2 | 0.3° | 0.3° |
| C1 | C4 | C3 | H3 | 180.0° | 179.7° |
| C1 | C4 | C3 | H4 | 179.7° | 179.7° |
| N2 | C3 | C4 | H4 | 180.0° | 179.9° |
| N2 | C3 | C4 | H3 | 179.7° | 180.0° |
| H3 | C4 | C3 | H4 | 0.3° | 0.0° |
