2P7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F24 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N8 | sing | 1.40Å | 1.38Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | I1 | sing | 2.09Å | 2.14Å | |
| N8 | C9 | sing | 1.39Å | 1.38Å | |
| C9 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.47Å | 1.50Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | F22 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | F23 | sing | 1.35Å | 1.34Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C15 | N17 | sing | 1.35Å | 1.40Å | |
| N17 | C20 | sing | 1.47Å | 1.46Å | |
| N17 | C18 | sing | 1.47Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O21 | sing | 1.43Å | 1.44Å | |
| C19 | C18 | sing | 1.54Å | 1.53Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F24 | C4 | C3 | 116.9° | 120.1° |
| F24 | C4 | C5 | 121.3° | 120.0° |
| C3 | C4 | C5 | 121.8° | 119.9° |
| C4 | C3 | C2 | 122.1° | 120.1° |
| C4 | C3 | H3 | 118.9° | 120.0° |
| C4 | C5 | C6 | 116.6° | 119.9° |
| C4 | C5 | N8 | 120.7° | 120.1° |
| C3 | C2 | C7 | 116.9° | 120.1° |
| C3 | C2 | I1 | 120.7° | 119.9° |
| C2 | C3 | H3 | 119.0° | 120.0° |
| C6 | C5 | N8 | 122.8° | 120.0° |
| C5 | C6 | C7 | 121.1° | 119.9° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C5 | N8 | C9 | 128.4° | 120.0° |
| C5 | N8 | H8 | 115.8° | 120.0° |
| C6 | C7 | C2 | 121.5° | 120.1° |
| C7 | C6 | H6 | 119.5° | 120.1° |
| C6 | C7 | H7 | 119.2° | 119.9° |
| C7 | C2 | I1 | 122.4° | 119.9° |
| C2 | C7 | H7 | 119.2° | 120.0° |
| N8 | C9 | C14 | 124.5° | 120.2° |
| N8 | C9 | C10 | 117.1° | 120.1° |
| C9 | N8 | H8 | 115.8° | 120.0° |
| C14 | C9 | C10 | 118.3° | 119.7° |
| C9 | C14 | C13 | 121.1° | 119.7° |
| C9 | C14 | C15 | 120.8° | 120.2° |
| C9 | C10 | C11 | 121.6° | 120.0° |
| C9 | C10 | F23 | 116.0° | 120.0° |
| C13 | C14 | C15 | 118.0° | 120.2° |
| C14 | C13 | C12 | 119.2° | 120.0° |
| C14 | C13 | H13 | 120.4° | 120.0° |
| C14 | C15 | O16 | 111.6° | 120.0° |
| C14 | C15 | N17 | 122.4° | 120.0° |
| C13 | C12 | C11 | 120.8° | 120.4° |
| C12 | C13 | H13 | 120.4° | 120.0° |
| C13 | C12 | H12 | 119.6° | 119.8° |
| C12 | C11 | F22 | 119.0° | 119.8° |
| C12 | C11 | C10 | 118.9° | 120.3° |
| C11 | C12 | H12 | 119.6° | 119.8° |
| F22 | C11 | C10 | 122.1° | 119.8° |
| C11 | C10 | F23 | 122.4° | 120.0° |
| O16 | C15 | N17 | 126.0° | 120.0° |
| C15 | N17 | C20 | 130.4° | 136.1° |
| C15 | N17 | C18 | 133.1° | 136.0° |
| C20 | N17 | C18 | 96.5° | 87.9° |
| N17 | C20 | C19 | 86.0° | 88.0° |
| N17 | C20 | H201 | 115.0° | 113.5° |
| N17 | C20 | H202 | 115.0° | 113.5° |
| N17 | C18 | C19 | 85.3° | 87.9° |
| N17 | C18 | H181 | 115.1° | 113.5° |
| N17 | C18 | H182 | 115.1° | 113.5° |
| C20 | C19 | O21 | 109.2° | 114.4° |
| C20 | C19 | C18 | 92.1° | 83.2° |
| C19 | C20 | H201 | 115.0° | 113.5° |
| C19 | C20 | H202 | 115.0° | 113.5° |
| C20 | C19 | H19 | 112.0° | 114.3° |
| O21 | C19 | C18 | 116.3° | 114.2° |
| O21 | C19 | H19 | 113.4° | 113.3° |
| C19 | O21 | H21 | 109.5° | 114.0° |
| C19 | C18 | H181 | 115.1° | 113.4° |
| C19 | C18 | H182 | 115.1° | 113.5° |
| C18 | C19 | H19 | 112.0° | 114.2° |
| H201 | C20 | H202 | 109.5° | 112.7° |
| H181 | C18 | H182 | 109.5° | 112.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F24 | C4 | C3 | C5 | 179.5° | 179.4° |
| F24 | C4 | C3 | C2 | 179.8° | 180.0° |
| F24 | C4 | C5 | C6 | 179.6° | 180.0° |
| F24 | C4 | C5 | N8 | 0.3° | 0.2° |
| F24 | C4 | C3 | H3 | 0.2° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.6° |
| C3 | C4 | C5 | N8 | 179.1° | 179.7° |
| C4 | C3 | C2 | C7 | 0.2° | 0.3° |
| C4 | C3 | C2 | I1 | 178.5° | 179.7° |
| C5 | C4 | C3 | C2 | 0.4° | 0.6° |
| C4 | C5 | C6 | N8 | 179.3° | 179.8° |
| C4 | C5 | C6 | C7 | 0.5° | 0.2° |
| C4 | C5 | N8 | C9 | 178.1° | 174.1° |
| C5 | C4 | C3 | H3 | 179.6° | 179.7° |
| C4 | C5 | C6 | H6 | 179.5° | 179.7° |
| C4 | C5 | N8 | H8 | 1.8° | 6.0° |
| C3 | C2 | C7 | C6 | 0.9° | 0.0° |
| C3 | C2 | C7 | I1 | 178.3° | 180.0° |
| C3 | C2 | C7 | H7 | 179.1° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 1.1° | 0.1° |
| C6 | C5 | N8 | C9 | 1.1° | 5.7° |
| C6 | C5 | N8 | H8 | 178.9° | 174.3° |
| C5 | C6 | C7 | H7 | 178.9° | 180.0° |
| N8 | C5 | C6 | C7 | 179.8° | 180.0° |
| C5 | N8 | C9 | H8 | 180.0° | 180.0° |
| C5 | N8 | C9 | C14 | 132.2° | 82.7° |
| C5 | N8 | C9 | C10 | 50.6° | 97.6° |
| N8 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C7 | C2 | H7 | 180.0° | 179.9° |
| C6 | C7 | C2 | I1 | 179.2° | 180.0° |
| C7 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C7 | C6 | H6 | 178.9° | 180.0° |
| I1 | C2 | C3 | H3 | 1.5° | 0.0° |
| I1 | C2 | C7 | H7 | 0.8° | 0.0° |
| N8 | C9 | C14 | C10 | 177.2° | 179.7° |
| N8 | C9 | C14 | C13 | 179.5° | 180.0° |
| N8 | C9 | C14 | C15 | 2.7° | 0.1° |
| N8 | C9 | C10 | C11 | 178.9° | 179.8° |
| N8 | C9 | C10 | F23 | 0.7° | 0.0° |
| C9 | C14 | C13 | C15 | 177.9° | 180.0° |
| C9 | C14 | C13 | C12 | 1.7° | 0.0° |
| C14 | C9 | C10 | C11 | 1.4° | 0.5° |
| C14 | C9 | C10 | F23 | 178.1° | 179.8° |
| C9 | C14 | C15 | O16 | 31.6° | 7.4° |
| C9 | C14 | C15 | N17 | 146.9° | 172.5° |
| C14 | C9 | N8 | H8 | 47.8° | 97.3° |
| C9 | C14 | C13 | H13 | 178.3° | 180.0° |
| C10 | C9 | C14 | C13 | 2.3° | 0.3° |
| C10 | C9 | C14 | C15 | 179.9° | 179.8° |
| C9 | C10 | C11 | C12 | 0.1° | 0.5° |
| C9 | C10 | C11 | F22 | 179.7° | 179.8° |
| C9 | C10 | C11 | F23 | 179.6° | 179.8° |
| C10 | C9 | N8 | H8 | 129.5° | 82.4° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.3° | 0.1° |
| C13 | C14 | C15 | O16 | 150.5° | 172.6° |
| C13 | C14 | C15 | N17 | 31.0° | 7.4° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 179.6° | 180.0° |
| C14 | C15 | O16 | N17 | 178.5° | 180.0° |
| C14 | C15 | N17 | C20 | 0.2° | 176.9° |
| C14 | C15 | N17 | C18 | 178.7° | 3.6° |
| C15 | C14 | C13 | H13 | 0.4° | 0.1° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | F22 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.3° |
| C12 | C11 | F22 | C10 | 179.8° | 179.8° |
| C12 | C11 | C10 | F23 | 179.5° | 179.7° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| F22 | C11 | C10 | F23 | 0.8° | 0.0° |
| F22 | C11 | C12 | H12 | 0.2° | 0.0° |
| C10 | C11 | C12 | H12 | 179.5° | 179.8° |
| O16 | C15 | N17 | C20 | 178.5° | 3.1° |
| O16 | C15 | N17 | C18 | 0.4° | 176.5° |
| C15 | N17 | C20 | C18 | 179.2° | 179.7° |
| C15 | N17 | C20 | C19 | 177.3° | 152.9° |
| C15 | N17 | C18 | C19 | 177.2° | 153.0° |
| C15 | N17 | C20 | H201 | 61.5° | 38.1° |
| C15 | N17 | C20 | H202 | 67.0° | 92.3° |
| C15 | N17 | C18 | H181 | 67.2° | 92.3° |
| C15 | N17 | C18 | H182 | 61.6° | 38.2° |
| N17 | C20 | C19 | H201 | 115.7° | 114.8° |
| N17 | C20 | C19 | H202 | 115.7° | 114.9° |
| N17 | C20 | C19 | O21 | 117.0° | 87.3° |
| C20 | N17 | C18 | C19 | 1.9° | 27.3° |
| N17 | C20 | H201 | H202 | 131.2° | 130.8° |
| C20 | N17 | C18 | H181 | 113.7° | 87.4° |
| C20 | N17 | C18 | H182 | 117.5° | 142.1° |
| N17 | C20 | C19 | H19 | 116.6° | 139.8° |
| N17 | C18 | C19 | O21 | 110.8° | 87.5° |
| N17 | C18 | C19 | H181 | 115.6° | 114.8° |
| N17 | C18 | C19 | H182 | 115.6° | 114.8° |
| C18 | N17 | C20 | H201 | 117.6° | 142.2° |
| C18 | N17 | C20 | H202 | 113.8° | 87.4° |
| N17 | C18 | H181 | H182 | 131.6° | 130.9° |
| N17 | C18 | C19 | H19 | 116.5° | 139.8° |
| C20 | C19 | O21 | C18 | 102.4° | 93.6° |
| C20 | C19 | O21 | H19 | 125.6° | 133.4° |
| C20 | C19 | C18 | H19 | 114.8° | 113.6° |
| C19 | C20 | H201 | H202 | 131.2° | 130.7° |
| C20 | C19 | C18 | H181 | 113.8° | 88.5° |
| C20 | C19 | C18 | H182 | 117.4° | 141.0° |
| C20 | C19 | O21 | H21 | 180.0° | 86.4° |
| O21 | C19 | C18 | H19 | 132.7° | 132.6° |
| O21 | C19 | C20 | H201 | 1.3° | 27.5° |
| O21 | C19 | C20 | H202 | 127.3° | 157.9° |
| O21 | C19 | C18 | H181 | 133.6° | 157.7° |
| O21 | C19 | C18 | H182 | 4.8° | 27.2° |
| C18 | C19 | C20 | H201 | 117.5° | 141.1° |
| C18 | C19 | C20 | H202 | 113.9° | 88.6° |
| C19 | C18 | H181 | H182 | 131.5° | 130.8° |
| C18 | C19 | O21 | H21 | 77.6° | 180.0° |
| H6 | C6 | C7 | H7 | 1.0° | 0.0° |
| H13 | C13 | C12 | H12 | 0.3° | 0.1° |
| H201 | C20 | C19 | H19 | 127.7° | 105.4° |
| H202 | C20 | C19 | H19 | 0.9° | 25.0° |
| H181 | C18 | C19 | H19 | 0.9° | 25.0° |
| H182 | C18 | C19 | H19 | 127.9° | 105.4° |
| H19 | C19 | O21 | H21 | 54.4° | 46.9° |
