Q4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.52Å | |
| O | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N | sing | 1.35Å | 1.35Å | |
| CL1 | C12 | sing | 1.74Å | 1.74Å | |
| N | C5 | sing | 1.49Å | 1.48Å | |
| N | C2 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | sing | 1.56Å | 1.53Å | |
| C5 | C4 | sing | 1.57Å | 1.53Å | |
| C6 | N1 | sing | 1.48Å | 1.47Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.56Å | 1.53Å | |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.50Å | 1.48Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.57Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 121.0° | 120.0° |
| C | C1 | N | 118.3° | 120.0° |
| C1 | C | H16 | 109.5° | 109.4° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| O | C1 | N | 120.7° | 120.0° |
| C1 | N | C5 | 126.6° | 126.9° |
| C1 | N | C2 | 126.8° | 126.9° |
| CL1 | C12 | C13 | 118.9° | 120.0° |
| CL1 | C12 | C11 | 119.3° | 120.0° |
| C5 | N | C2 | 106.5° | 106.1° |
| N | C5 | C6 | 109.1° | 104.1° |
| N | C5 | C4 | 101.6° | 101.0° |
| N | C5 | H4 | 115.6° | 116.7° |
| N | C2 | C3 | 101.9° | 105.1° |
| N | C2 | H14 | 111.3° | 110.4° |
| N | C2 | H15 | 111.3° | 110.4° |
| C6 | C5 | C4 | 99.5° | 99.7° |
| C5 | C6 | N1 | 102.5° | 105.0° |
| C6 | C5 | H4 | 114.7° | 116.2° |
| C5 | C6 | H5 | 111.2° | 110.3° |
| C5 | C6 | H6 | 111.2° | 110.4° |
| C5 | C4 | C3 | 92.0° | 94.3° |
| C5 | C4 | H2 | 113.6° | 112.4° |
| C5 | C4 | H3 | 113.6° | 112.4° |
| C4 | C5 | H4 | 114.6° | 116.5° |
| C6 | N1 | C3 | 104.9° | 106.0° |
| C6 | N1 | C7 | 113.6° | 111.0° |
| N1 | C6 | H5 | 111.2° | 110.3° |
| N1 | C6 | H6 | 111.2° | 110.3° |
| C13 | C12 | C11 | 121.8° | 119.9° |
| C12 | C13 | C8 | 119.6° | 120.0° |
| C12 | C13 | H10 | 120.2° | 120.0° |
| C12 | C11 | C10 | 118.6° | 120.0° |
| C12 | C11 | H11 | 120.7° | 120.0° |
| C2 | C3 | N1 | 104.8° | 104.1° |
| C2 | C3 | C4 | 100.8° | 99.6° |
| C2 | C3 | H13 | 115.0° | 116.9° |
| C3 | C2 | H14 | 111.3° | 110.3° |
| C3 | C2 | H15 | 111.3° | 110.3° |
| C13 | C8 | C7 | 120.4° | 120.0° |
| C13 | C8 | C9 | 118.9° | 120.0° |
| C8 | C13 | H10 | 120.2° | 120.0° |
| C11 | C10 | C9 | 120.2° | 120.0° |
| C11 | C10 | H9 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.7° | 120.0° |
| C3 | N1 | C7 | 114.2° | 111.0° |
| N1 | C3 | C4 | 103.9° | 101.0° |
| N1 | C3 | H13 | 115.7° | 116.2° |
| N1 | C7 | C8 | 112.6° | 109.5° |
| N1 | C7 | H7 | 108.7° | 109.5° |
| N1 | C7 | H8 | 108.7° | 109.5° |
| C3 | C4 | H2 | 113.6° | 112.3° |
| C3 | C4 | H3 | 113.6° | 112.4° |
| C4 | C3 | H13 | 114.9° | 116.5° |
| C7 | C8 | C9 | 120.7° | 120.0° |
| C8 | C7 | H7 | 108.7° | 109.4° |
| C8 | C7 | H8 | 108.7° | 109.5° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | H12 | 119.6° | 120.0° |
| C9 | C10 | H9 | 119.9° | 120.0° |
| C10 | C9 | H12 | 119.6° | 120.0° |
| H2 | C4 | H3 | 109.5° | 111.9° |
| H5 | C6 | H6 | 109.5° | 110.4° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H14 | C2 | H15 | 109.5° | 110.2° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 177.8° | 180.0° |
| C | C1 | N | C5 | 38.5° | 180.0° |
| C | C1 | N | C2 | 145.2° | 0.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| O | C1 | N | C5 | 139.3° | 0.0° |
| O | C1 | N | C2 | 36.9° | 180.0° |
| O | C1 | C | H16 | 0.0° | 180.0° |
| O | C1 | C | H17 | 120.0° | 60.0° |
| O | C1 | C | H18 | 120.0° | 60.0° |
| C1 | N | C5 | C2 | 176.9° | 180.0° |
| C1 | N | C5 | C6 | 112.3° | 113.1° |
| C1 | N | C5 | C4 | 143.3° | 143.8° |
| C1 | N | C2 | C3 | 180.0° | 178.0° |
| C1 | N | C5 | H4 | 18.6° | 16.4° |
| C1 | N | C2 | H14 | 61.2° | 63.0° |
| C1 | N | C2 | H15 | 61.2° | 59.1° |
| N | C1 | C | H16 | 177.8° | 0.0° |
| N | C1 | C | H17 | 57.8° | 120.0° |
| N | C1 | C | H18 | 62.2° | 120.0° |
| CL1 | C12 | C13 | C11 | 177.4° | 179.9° |
| CL1 | C12 | C13 | C8 | 176.5° | 180.0° |
| CL1 | C12 | C11 | C10 | 176.9° | 179.9° |
| CL1 | C12 | C13 | H10 | 3.5° | 0.1° |
| CL1 | C12 | C11 | H11 | 3.1° | 0.0° |
| N | C5 | C6 | C4 | 105.8° | 104.1° |
| N | C5 | C6 | H4 | 131.4° | 129.8° |
| N | C5 | C4 | H4 | 125.3° | 127.6° |
| N | C5 | C6 | N1 | 61.5° | 71.2° |
| C5 | N | C2 | C3 | 3.1° | 2.0° |
| N | C5 | C4 | C3 | 54.5° | 54.4° |
| N | C5 | C4 | H2 | 171.5° | 170.7° |
| N | C5 | C4 | H3 | 62.4° | 61.9° |
| N | C5 | C6 | H5 | 57.4° | 169.9° |
| N | C5 | C6 | H6 | 179.6° | 47.7° |
| C5 | N | C2 | H14 | 115.7° | 117.0° |
| C5 | N | C2 | H15 | 121.9° | 120.9° |
| C2 | N | C5 | C6 | 70.8° | 66.9° |
| C2 | N | C5 | C4 | 33.6° | 36.2° |
| N | C2 | C3 | H14 | 118.8° | 119.0° |
| N | C2 | C3 | H15 | 118.8° | 119.0° |
| N | C2 | C3 | N1 | 69.0° | 71.2° |
| N | C2 | C3 | C4 | 38.7° | 32.8° |
| C2 | N | C5 | H4 | 158.3° | 163.6° |
| N | C2 | C3 | H13 | 162.8° | 159.2° |
| N | C2 | H14 | H15 | 123.5° | 122.2° |
| C6 | C5 | C4 | H4 | 122.8° | 125.8° |
| C5 | C6 | N1 | H5 | 118.9° | 118.8° |
| C5 | C6 | N1 | H6 | 118.9° | 118.9° |
| C5 | C6 | N1 | C3 | 10.7° | 2.0° |
| C5 | C6 | N1 | C7 | 136.1° | 118.7° |
| C6 | C5 | C4 | C3 | 57.3° | 52.1° |
| C6 | C5 | C4 | H2 | 59.6° | 64.1° |
| C6 | C5 | C4 | H3 | 174.3° | 168.5° |
| C5 | C6 | H5 | H6 | 123.2° | 122.2° |
| C4 | C5 | C6 | N1 | 44.3° | 32.8° |
| C5 | C4 | C3 | C2 | 56.5° | 51.9° |
| C5 | C4 | C3 | N1 | 51.9° | 54.6° |
| C5 | C4 | C3 | H2 | 117.0° | 116.3° |
| C5 | C4 | C3 | H3 | 116.9° | 116.4° |
| C5 | C4 | H2 | H3 | 128.2° | 127.7° |
| C4 | C5 | C6 | H5 | 163.2° | 86.0° |
| C4 | C5 | C6 | H6 | 74.5° | 151.8° |
| C5 | C4 | C3 | H13 | 179.4° | 178.6° |
| C6 | N1 | C3 | C2 | 78.5° | 66.7° |
| C6 | N1 | C3 | C7 | 125.0° | 120.6° |
| C6 | N1 | C3 | C4 | 26.9° | 36.2° |
| C6 | N1 | C7 | C8 | 70.3° | 72.4° |
| N1 | C6 | C5 | H4 | 167.1° | 158.9° |
| N1 | C6 | H5 | H6 | 123.3° | 122.2° |
| C6 | N1 | C7 | H7 | 50.1° | 47.6° |
| C6 | N1 | C7 | H8 | 169.2° | 167.6° |
| C6 | N1 | C3 | H13 | 153.8° | 163.3° |
| C12 | C13 | C8 | H10 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C13 | C8 | C7 | 178.4° | 180.0° |
| C12 | C13 | C8 | C9 | 0.7° | 0.4° |
| C13 | C12 | C11 | H11 | 179.5° | 180.0° |
| C11 | C12 | C13 | C8 | 0.9° | 0.1° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.2° |
| C12 | C11 | C10 | H9 | 179.9° | 179.8° |
| C11 | C12 | C13 | H10 | 179.1° | 180.0° |
| C2 | C3 | N1 | C4 | 105.3° | 102.9° |
| C2 | C3 | N1 | H13 | 127.7° | 130.0° |
| C2 | C3 | N1 | C7 | 156.5° | 172.7° |
| C2 | C3 | C4 | H13 | 124.2° | 126.7° |
| C2 | C3 | C4 | H2 | 173.4° | 168.3° |
| C2 | C3 | C4 | H3 | 60.5° | 64.5° |
| C3 | C2 | H14 | H15 | 123.5° | 122.1° |
| C13 | C8 | C7 | N1 | 42.0° | 89.7° |
| C13 | C8 | C7 | C9 | 179.1° | 179.6° |
| C13 | C8 | C9 | C10 | 0.1° | 0.6° |
| C13 | C8 | C7 | H7 | 162.5° | 150.3° |
| C13 | C8 | C7 | H8 | 78.5° | 30.4° |
| C13 | C8 | C9 | H12 | 179.9° | 179.7° |
| C11 | C10 | C9 | C8 | 0.3° | 0.5° |
| C11 | C10 | C9 | H9 | 180.0° | 179.5° |
| C11 | C10 | C9 | H12 | 179.7° | 179.7° |
| N1 | C3 | C4 | H13 | 127.5° | 126.8° |
| C3 | N1 | C7 | C8 | 169.3° | 170.0° |
| N1 | C3 | C4 | H2 | 65.0° | 61.8° |
| N1 | C3 | C4 | H3 | 168.9° | 171.0° |
| C3 | N1 | C6 | H5 | 129.5° | 120.8° |
| C3 | N1 | C6 | H6 | 108.2° | 117.0° |
| C3 | N1 | C7 | H7 | 70.2° | 70.0° |
| C3 | N1 | C7 | H8 | 48.9° | 50.0° |
| N1 | C3 | C2 | H14 | 172.2° | 47.7° |
| N1 | C3 | C2 | H15 | 49.8° | 169.8° |
| C7 | N1 | C3 | C4 | 98.2° | 84.4° |
| N1 | C7 | C8 | H7 | 120.5° | 120.0° |
| N1 | C7 | C8 | H8 | 120.5° | 120.1° |
| N1 | C7 | C8 | C9 | 138.9° | 90.0° |
| C7 | N1 | C6 | H5 | 105.0° | 0.2° |
| C7 | N1 | C6 | H6 | 17.3° | 122.4° |
| N1 | C7 | H7 | H8 | 118.6° | 120.0° |
| C7 | N1 | C3 | H13 | 28.7° | 42.6° |
| C3 | C4 | H2 | H3 | 128.3° | 127.5° |
| C3 | C4 | C5 | H4 | 179.8° | 178.0° |
| C4 | C3 | C2 | H14 | 80.1° | 151.7° |
| C4 | C3 | C2 | H15 | 157.5° | 86.2° |
| C7 | C8 | C9 | C10 | 179.0° | 179.8° |
| C8 | C7 | H7 | H8 | 118.6° | 120.0° |
| C7 | C8 | C13 | H10 | 1.6° | 0.1° |
| C7 | C8 | C9 | H12 | 1.0° | 0.0° |
| C8 | C9 | C10 | H12 | 180.0° | 179.8° |
| C9 | C8 | C7 | H7 | 18.4° | 30.0° |
| C9 | C8 | C7 | H8 | 100.6° | 150.0° |
| C8 | C9 | C10 | H9 | 179.7° | 179.9° |
| C9 | C8 | C13 | H10 | 179.3° | 179.7° |
| C9 | C10 | C11 | H11 | 179.9° | 179.7° |
| H2 | C4 | C5 | H4 | 63.2° | 61.7° |
| H2 | C4 | C3 | H13 | 62.4° | 65.1° |
| H3 | C4 | C5 | H4 | 62.9° | 65.7° |
| H3 | C4 | C3 | H13 | 63.7° | 62.2° |
| H4 | C5 | C6 | H5 | 74.0° | 40.1° |
| H4 | C5 | C6 | H6 | 48.2° | 82.2° |
| H9 | C10 | C11 | H11 | 0.1° | 0.2° |
| H9 | C10 | C9 | H12 | 0.3° | 0.2° |
| H13 | C3 | C2 | H14 | 44.0° | 81.8° |
| H13 | C3 | C2 | H15 | 78.5° | 40.2° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
