8XF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.35Å | Aromatic |
| F | C | sing | 1.40Å | 1.32Å | |
| N1 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C | F2 | sing | 1.40Å | 1.34Å | |
| C | F1 | sing | 1.40Å | 1.33Å | |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | N | sing | 1.39Å | 1.35Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C4 | N1 | 128.1° | 121.8° |
| C4 | N2 | C1 | 112.8° | 121.0° |
| N2 | C4 | H3 | 116.0° | 119.1° |
| C4 | N1 | C3 | 117.1° | 120.7° |
| N1 | C4 | H3 | 115.9° | 119.1° |
| N2 | C1 | C | 114.7° | 120.4° |
| N2 | C1 | C2 | 124.7° | 119.2° |
| F | C | C1 | 113.0° | 109.5° |
| F | C | F2 | 105.6° | 109.5° |
| F | C | F1 | 106.3° | 109.5° |
| N1 | C3 | C2 | 121.1° | 118.9° |
| N1 | C3 | N | 117.1° | 120.6° |
| C | C1 | C2 | 120.1° | 120.4° |
| C1 | C | F2 | 113.0° | 109.5° |
| C1 | C | F1 | 111.6° | 109.5° |
| C1 | C2 | C3 | 116.1° | 118.3° |
| C1 | C2 | H | 122.0° | 120.9° |
| F2 | C | F1 | 106.8° | 109.5° |
| C2 | C3 | N | 121.8° | 120.5° |
| C3 | C2 | H | 121.9° | 120.8° |
| C3 | N | H2 | 109.5° | 119.9° |
| C3 | N | H1 | 109.5° | 120.1° |
| H2 | N | H1 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C4 | N1 | H3 | 180.0° | 180.0° |
| N2 | C4 | N1 | C3 | 1.2° | 0.0° |
| C4 | N2 | C1 | C | 168.0° | 180.0° |
| C4 | N2 | C1 | C2 | 3.7° | 0.0° |
| N1 | C4 | N2 | C1 | 1.8° | 0.0° |
| C4 | N1 | C3 | C2 | 2.6° | 0.0° |
| C4 | N1 | C3 | N | 174.8° | 180.0° |
| N2 | C1 | C | F | 32.8° | 125.0° |
| N2 | C1 | C | C2 | 172.0° | 180.0° |
| N2 | C1 | C | F2 | 152.6° | 5.0° |
| N2 | C1 | C | F1 | 87.0° | 115.0° |
| N2 | C1 | C2 | C3 | 2.4° | 0.0° |
| C1 | N2 | C4 | H3 | 178.2° | 180.0° |
| N2 | C1 | C2 | H | 177.6° | 180.0° |
| F | C | C1 | F2 | 119.8° | 120.0° |
| F | C | C1 | F1 | 119.8° | 120.0° |
| F | C | C1 | C2 | 155.1° | 55.0° |
| F | C | F2 | F1 | 112.9° | 120.0° |
| N1 | C3 | C2 | C1 | 0.9° | 0.0° |
| N1 | C3 | C2 | N | 177.3° | 180.0° |
| C3 | N1 | C4 | H3 | 178.8° | 180.0° |
| N1 | C3 | C2 | H | 179.0° | 180.0° |
| N1 | C3 | N | H2 | 0.0° | 0.0° |
| N1 | C3 | N | H1 | 120.0° | 180.0° |
| C1 | C | F2 | F1 | 123.1° | 120.0° |
| C | C1 | C2 | C3 | 168.8° | 180.0° |
| C | C1 | C2 | H | 11.2° | 0.0° |
| C2 | C1 | C | F2 | 35.3° | 175.0° |
| C2 | C1 | C | F1 | 85.1° | 65.0° |
| C1 | C2 | C3 | H | 180.0° | 180.0° |
| C1 | C2 | C3 | N | 176.4° | 180.0° |
| C2 | C3 | N | H2 | 177.4° | 180.0° |
| C2 | C3 | N | H1 | 62.6° | 0.0° |
| N | C3 | C2 | H | 3.6° | 0.0° |
| C3 | N | H2 | H1 | 120.0° | 180.0° |
