N4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C10 | S11 | sing | 1.71Å | 1.72Å | Aromatic |
| C10 | N9 | doub | 1.29Å | 1.31Å | Aromatic |
| S11 | C12 | sing | 1.76Å | 1.72Å | Aromatic |
| N9 | C8 | sing | 1.33Å | 1.39Å | Aromatic |
| C12 | C8 | doub | 1.35Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.52Å | 1.49Å | |
| C3 | N5 | sing | 1.35Å | 1.35Å | |
| C3 | O4 | doub | 1.21Å | 1.23Å | |
| C13 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C6 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 113.9° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H16 | 108.3° | 109.5° |
| C1 | C2 | H24 | 108.3° | 109.5° |
| C2 | C3 | N5 | 118.4° | 120.0° |
| C2 | C3 | O4 | 120.1° | 120.0° |
| C3 | C2 | H16 | 108.3° | 109.5° |
| C3 | C2 | H24 | 108.3° | 109.5° |
| S11 | C10 | N9 | 116.3° | 110.2° |
| C10 | S11 | C12 | 88.0° | 90.2° |
| S11 | C10 | H21 | 121.8° | 124.9° |
| C10 | N9 | C8 | 109.5° | 117.9° |
| N9 | C10 | H21 | 121.8° | 124.9° |
| S11 | C12 | C8 | 111.3° | 108.7° |
| S11 | C12 | C13 | 124.4° | 126.3° |
| N9 | C8 | C12 | 114.8° | 113.0° |
| N9 | C8 | C7 | 123.9° | 124.0° |
| C8 | C12 | C13 | 124.3° | 125.0° |
| C12 | C8 | C7 | 121.3° | 122.9° |
| C12 | C13 | N5 | 109.7° | 107.4° |
| C12 | C13 | H23 | 109.4° | 109.8° |
| C12 | C13 | H22 | 109.4° | 109.9° |
| C8 | C7 | C6 | 110.5° | 109.1° |
| C8 | C7 | H20 | 109.2° | 109.5° |
| C8 | C7 | H19 | 109.2° | 109.5° |
| N5 | C3 | O4 | 121.5° | 120.0° |
| C3 | N5 | C13 | 123.9° | 121.1° |
| C3 | N5 | C6 | 120.0° | 121.0° |
| C13 | N5 | C6 | 112.0° | 117.9° |
| N5 | C13 | H23 | 109.4° | 109.8° |
| N5 | C13 | H22 | 109.4° | 109.9° |
| N5 | C6 | C7 | 110.6° | 109.2° |
| N5 | C6 | H18 | 109.2° | 109.6° |
| N5 | C6 | H17 | 109.2° | 109.5° |
| C7 | C6 | H18 | 109.2° | 109.6° |
| C7 | C6 | H17 | 109.2° | 109.5° |
| C6 | C7 | H20 | 109.2° | 109.6° |
| C6 | C7 | H19 | 109.2° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H1 | 109.5° | 109.5° |
| H15 | C1 | H1 | 109.4° | 109.4° |
| H16 | C2 | H24 | 109.5° | 109.5° |
| H18 | C6 | H17 | 109.5° | 109.5° |
| H20 | C7 | H19 | 109.5° | 109.5° |
| H23 | C13 | H22 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H16 | 120.7° | 120.0° |
| C1 | C2 | C3 | H24 | 120.6° | 120.0° |
| C1 | C2 | C3 | N5 | 166.3° | 180.0° |
| C1 | C2 | C3 | O4 | 13.5° | 0.1° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H1 | 120.0° | 120.0° |
| C2 | C1 | H15 | H1 | 120.0° | 120.0° |
| C1 | C2 | H16 | H24 | 118.0° | 120.0° |
| C2 | C3 | N5 | O4 | 179.8° | 179.9° |
| C2 | C3 | N5 | C13 | 29.8° | 0.0° |
| C2 | C3 | N5 | C6 | 175.0° | 179.9° |
| C3 | C2 | C1 | H14 | 180.0° | 60.0° |
| C3 | C2 | C1 | H15 | 60.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 180.0° |
| C3 | C2 | H16 | H24 | 118.0° | 120.0° |
| S11 | C10 | N9 | H21 | 180.0° | 180.0° |
| S11 | C10 | N9 | C8 | 0.1° | 0.2° |
| C10 | S11 | C12 | C8 | 0.1° | 0.2° |
| C10 | S11 | C12 | C13 | 180.0° | 179.7° |
| N9 | C10 | S11 | C12 | 0.1° | 0.1° |
| C10 | N9 | C8 | C12 | 0.0° | 0.4° |
| C10 | N9 | C8 | C7 | 180.0° | 179.6° |
| S11 | C12 | C8 | N9 | 0.0° | 0.4° |
| S11 | C12 | C8 | C13 | 179.9° | 179.9° |
| S11 | C12 | C8 | C7 | 179.9° | 179.6° |
| S11 | C12 | C13 | N5 | 164.9° | 169.7° |
| C12 | S11 | C10 | H21 | 179.9° | 179.9° |
| S11 | C12 | C13 | H23 | 75.0° | 70.9° |
| S11 | C12 | C13 | H22 | 44.9° | 50.2° |
| N9 | C8 | C12 | C7 | 179.9° | 180.0° |
| N9 | C8 | C12 | C13 | 180.0° | 179.6° |
| N9 | C8 | C7 | C6 | 164.0° | 161.0° |
| N9 | C8 | C7 | H20 | 75.9° | 41.1° |
| N9 | C8 | C7 | H19 | 43.8° | 79.1° |
| C8 | N9 | C10 | H21 | 179.9° | 179.9° |
| C8 | C12 | C13 | N5 | 15.2° | 10.4° |
| C12 | C8 | C7 | C6 | 15.9° | 19.0° |
| C12 | C8 | C7 | H20 | 104.2° | 138.9° |
| C12 | C8 | C7 | H19 | 136.1° | 100.9° |
| C8 | C12 | C13 | H23 | 104.9° | 109.0° |
| C8 | C12 | C13 | H22 | 135.2° | 129.9° |
| C13 | C12 | C8 | C7 | 0.0° | 0.4° |
| C12 | C13 | N5 | C3 | 155.4° | 136.6° |
| C12 | C13 | N5 | H23 | 120.0° | 119.4° |
| C12 | C13 | N5 | H22 | 120.0° | 119.5° |
| C12 | C13 | N5 | C6 | 47.7° | 43.2° |
| C12 | C13 | H23 | H22 | 119.9° | 121.0° |
| C8 | C7 | C6 | N5 | 47.7° | 46.8° |
| C8 | C7 | C6 | H20 | 120.2° | 119.9° |
| C8 | C7 | C6 | H19 | 120.1° | 119.9° |
| C8 | C7 | C6 | H18 | 72.4° | 166.8° |
| C8 | C7 | C6 | H17 | 167.9° | 73.1° |
| C8 | C7 | H20 | H19 | 119.5° | 120.2° |
| C3 | N5 | C13 | C6 | 156.9° | 179.8° |
| C3 | N5 | C6 | C7 | 135.4° | 115.4° |
| N5 | C3 | C2 | H16 | 45.6° | 60.0° |
| N5 | C3 | C2 | H24 | 73.1° | 60.0° |
| C3 | N5 | C6 | H18 | 104.4° | 4.7° |
| C3 | N5 | C6 | H17 | 15.3° | 124.8° |
| C3 | N5 | C13 | H23 | 84.6° | 104.0° |
| C3 | N5 | C13 | H22 | 35.3° | 17.1° |
| O4 | C3 | N5 | C13 | 150.4° | 179.9° |
| O4 | C3 | N5 | C6 | 4.8° | 0.2° |
| O4 | C3 | C2 | H16 | 134.2° | 120.1° |
| O4 | C3 | C2 | H24 | 107.1° | 119.9° |
| C13 | N5 | C6 | C7 | 66.6° | 64.5° |
| C13 | N5 | C6 | H18 | 53.5° | 175.5° |
| C13 | N5 | C6 | H17 | 173.2° | 55.4° |
| N5 | C13 | H23 | H22 | 119.9° | 121.0° |
| N5 | C6 | C7 | H18 | 120.1° | 120.0° |
| N5 | C6 | C7 | H17 | 120.2° | 119.8° |
| N5 | C6 | H18 | H17 | 119.5° | 120.1° |
| N5 | C6 | C7 | H20 | 72.4° | 166.7° |
| N5 | C6 | C7 | H19 | 167.9° | 73.1° |
| C6 | N5 | C13 | H23 | 72.3° | 76.2° |
| C6 | N5 | C13 | H22 | 167.7° | 162.7° |
| C7 | C6 | H18 | H17 | 119.5° | 120.1° |
| C6 | C7 | H20 | H19 | 119.5° | 120.1° |
| H14 | C1 | H15 | H1 | 120.0° | 120.0° |
| H14 | C1 | C2 | H16 | 59.4° | 60.0° |
| H14 | C1 | C2 | H24 | 59.4° | 180.0° |
| H15 | C1 | C2 | H16 | 60.7° | 180.0° |
| H15 | C1 | C2 | H24 | 179.4° | 60.0° |
| H1 | C1 | C2 | H16 | 179.4° | 60.0° |
| H1 | C1 | C2 | H24 | 60.6° | 60.0° |
| H18 | C6 | C7 | H20 | 167.4° | 73.2° |
| H18 | C6 | C7 | H19 | 47.7° | 46.9° |
| H17 | C6 | C7 | H20 | 47.7° | 46.9° |
| H17 | C6 | C7 | H19 | 72.0° | 167.0° |
