A2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | F | sing | 1.35Å | 1.33Å | |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | N3 | doub | 1.34Å | 1.36Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| N6 | C6 | sing | 1.39Å | 1.36Å | |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N7 | C5 | sing | 1.38Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.35Å | 1.34Å | Aromatic |
| N7 | C8 | sing | 1.35Å | 1.31Å | Aromatic |
| C8 | N9 | doub | 1.30Å | 1.29Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C2 | N1 | 118.1° | 118.8° |
| F | C2 | N3 | 119.1° | 118.8° |
| N1 | C2 | N3 | 122.8° | 122.4° |
| C2 | N1 | C6 | 119.8° | 121.1° |
| C2 | N3 | C4 | 118.3° | 120.6° |
| N3 | C4 | C5 | 120.0° | 118.6° |
| N3 | C4 | N9 | 134.0° | 134.5° |
| N1 | C6 | N6 | 121.9° | 120.7° |
| N1 | C6 | C5 | 118.5° | 118.6° |
| N6 | C6 | C5 | 119.5° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| C6 | C5 | N7 | 133.3° | 135.2° |
| C6 | C5 | C4 | 120.6° | 118.7° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C5 | C4 | 106.1° | 106.1° |
| C5 | N7 | C8 | 108.7° | 107.2° |
| C5 | N7 | HN7 | 125.7° | 126.4° |
| C5 | C4 | N9 | 106.0° | 106.9° |
| C4 | N9 | C8 | 109.0° | 109.8° |
| N7 | C8 | N9 | 110.2° | 110.1° |
| N7 | C8 | H8 | 124.9° | 125.0° |
| C8 | N7 | HN7 | 125.6° | 126.4° |
| N9 | C8 | H8 | 124.9° | 124.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C2 | N1 | N3 | 179.7° | 179.6° |
| F | C2 | N3 | C4 | 179.7° | 179.9° |
| F | C2 | N1 | C6 | 179.4° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| C2 | N1 | C6 | N6 | 179.4° | 179.9° |
| C2 | N1 | C6 | C5 | 0.7° | 0.1° |
| N3 | C2 | N1 | C6 | 0.3° | 0.3° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.4° | 179.7° |
| N3 | C4 | C5 | C6 | 0.4° | 0.3° |
| N3 | C4 | C5 | N7 | 179.2° | 179.9° |
| N3 | C4 | C5 | N9 | 179.5° | 179.7° |
| N3 | C4 | N9 | C8 | 179.7° | 179.7° |
| N1 | C6 | N6 | C5 | 178.7° | 180.0° |
| N1 | C6 | N6 | HN6 | 129.3° | 0.0° |
| N1 | C6 | N6 | HN6A | 110.7° | 180.0° |
| N1 | C6 | C5 | N7 | 178.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.2° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N6 | C6 | C5 | N7 | 0.0° | 0.0° |
| N6 | C6 | C5 | C4 | 179.4° | 179.8° |
| C5 | C6 | N6 | HN6 | 52.1° | 180.0° |
| C5 | C6 | N6 | HN6A | 68.0° | 0.0° |
| C6 | C5 | N7 | C4 | 179.5° | 179.8° |
| C6 | C5 | C4 | N9 | 179.9° | 180.0° |
| C6 | C5 | N7 | C8 | 179.7° | 180.0° |
| C6 | C5 | N7 | HN7 | 0.3° | 0.0° |
| N7 | C5 | C4 | N9 | 0.3° | 0.2° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | N9 | 1.0° | 0.2° |
| C5 | N7 | C8 | H8 | 179.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.8° | 0.2° |
| C5 | C4 | N9 | C8 | 0.3° | 0.1° |
| C4 | C5 | N7 | HN7 | 179.2° | 179.8° |
| C4 | N9 | C8 | N7 | 0.8° | 0.1° |
| C4 | N9 | C8 | H8 | 179.2° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | HN7 | 179.0° | 179.8° |
| H8 | C8 | N7 | HN7 | 1.0° | 0.1° |
