2F5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N18 | sing | 1.32Å | 1.35Å | Aromatic |
| C20 | N21 | sing | 1.32Å | 1.36Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| N18 | C17 | doub | 1.32Å | 1.35Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.48Å | 1.51Å | |
| C02 | C12 | sing | 1.47Å | 1.52Å | |
| C03 | N11 | doub | 1.31Å | 1.37Å | Aromatic |
| C03 | N04 | sing | 1.37Å | 1.34Å | Aromatic |
| C30 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C10 | sing | 1.34Å | 1.39Å | Aromatic |
| N04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C05 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.44Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | O16 | sing | 1.36Å | 1.38Å | |
| C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | N23 | sing | 1.39Å | 1.47Å | |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.38Å | |
| N23 | C28 | sing | 1.47Å | 1.35Å | |
| N23 | C24 | sing | 1.47Å | 1.34Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C27 | O26 | sing | 1.43Å | 1.47Å | |
| C25 | O26 | sing | 1.43Å | 1.47Å | |
| N04 | H1 | sing | 0.97Å | 1.00Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | N18 | 119.4° | 120.3° |
| C19 | C20 | N21 | 120.3° | 120.2° |
| C20 | C19 | H9 | 120.3° | 119.8° |
| C19 | C20 | H10 | 119.8° | 119.9° |
| C19 | N18 | C17 | 120.3° | 120.0° |
| N18 | C19 | H9 | 120.3° | 119.9° |
| C20 | N21 | C22 | 120.6° | 120.0° |
| N21 | C20 | H10 | 119.8° | 120.0° |
| O01 | C02 | C03 | 118.4° | 120.0° |
| O01 | C02 | C12 | 119.2° | 120.0° |
| N18 | C17 | C22 | 120.7° | 119.8° |
| N18 | C17 | O16 | 120.9° | 120.1° |
| N21 | C22 | C17 | 118.7° | 119.8° |
| N21 | C22 | N23 | 120.9° | 120.1° |
| C03 | C02 | C12 | 122.4° | 120.0° |
| C02 | C03 | N11 | 125.1° | 125.1° |
| C02 | C03 | N04 | 126.5° | 125.1° |
| C02 | C12 | C30 | 119.7° | 120.1° |
| C02 | C12 | C13 | 121.0° | 120.1° |
| N11 | C03 | N04 | 108.4° | 109.7° |
| C03 | N11 | C10 | 108.8° | 109.7° |
| C03 | N04 | C05 | 108.7° | 107.1° |
| C03 | N04 | H1 | 125.6° | 126.4° |
| C12 | C30 | C29 | 120.4° | 119.9° |
| C30 | C12 | C13 | 119.3° | 119.8° |
| C12 | C30 | H20 | 119.8° | 120.0° |
| C30 | C29 | C15 | 119.9° | 120.1° |
| C30 | C29 | H19 | 120.0° | 119.9° |
| C29 | C30 | H20 | 119.8° | 120.1° |
| N11 | C10 | C05 | 106.8° | 107.3° |
| N11 | C10 | C09 | 133.3° | 133.4° |
| N04 | C05 | C10 | 107.3° | 106.2° |
| N04 | C05 | C06 | 132.4° | 134.1° |
| C05 | N04 | H1 | 125.7° | 126.5° |
| C12 | C13 | C14 | 120.5° | 119.9° |
| C12 | C13 | H7 | 119.8° | 120.0° |
| C05 | C10 | C09 | 119.9° | 119.3° |
| C10 | C05 | C06 | 120.3° | 119.8° |
| C10 | C09 | C08 | 119.7° | 119.9° |
| C10 | C09 | H5 | 120.1° | 120.1° |
| C05 | C06 | C07 | 119.7° | 119.7° |
| C05 | C06 | H2 | 120.1° | 120.1° |
| C29 | C15 | C14 | 120.1° | 120.2° |
| C29 | C15 | O16 | 121.5° | 119.9° |
| C15 | C29 | H19 | 120.1° | 120.0° |
| C22 | C17 | O16 | 118.4° | 120.1° |
| C17 | C22 | N23 | 120.4° | 120.1° |
| C17 | O16 | C15 | 116.6° | 118.0° |
| C09 | C08 | C07 | 120.2° | 120.7° |
| C09 | C08 | H4 | 119.9° | 119.6° |
| C08 | C09 | H5 | 120.1° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.6° |
| C07 | C06 | H2 | 120.1° | 120.2° |
| C06 | C07 | H3 | 120.0° | 119.7° |
| C22 | N23 | C28 | 121.5° | 111.0° |
| C22 | N23 | C24 | 107.6° | 111.0° |
| C08 | C07 | H3 | 119.9° | 119.7° |
| C07 | C08 | H4 | 119.9° | 119.6° |
| C13 | C14 | C15 | 119.9° | 120.1° |
| C14 | C13 | H7 | 119.8° | 120.1° |
| C13 | C14 | H8 | 120.0° | 119.9° |
| C14 | C15 | O16 | 118.4° | 120.0° |
| C15 | C14 | H8 | 120.0° | 120.0° |
| C28 | N23 | C24 | 127.8° | 110.7° |
| N23 | C28 | C27 | 109.6° | 109.3° |
| N23 | C28 | H17 | 109.5° | 109.5° |
| N23 | C28 | H18 | 109.4° | 109.5° |
| N23 | C24 | C25 | 109.8° | 109.3° |
| N23 | C24 | H11 | 109.4° | 109.5° |
| N23 | C24 | H12 | 109.4° | 109.5° |
| C28 | C27 | O26 | 111.4° | 109.3° |
| C28 | C27 | H15 | 109.0° | 109.5° |
| C28 | C27 | H16 | 109.0° | 109.6° |
| C27 | C28 | H17 | 109.4° | 109.5° |
| C27 | C28 | H18 | 109.5° | 109.5° |
| C24 | C25 | O26 | 112.9° | 109.3° |
| C25 | C24 | H11 | 109.4° | 109.5° |
| C25 | C24 | H12 | 109.4° | 109.5° |
| C24 | C25 | H13 | 108.6° | 109.5° |
| C24 | C25 | H14 | 108.6° | 109.5° |
| C27 | O26 | C25 | 111.1° | 113.7° |
| O26 | C27 | H15 | 109.0° | 109.5° |
| O26 | C27 | H16 | 109.0° | 109.5° |
| O26 | C25 | H13 | 108.6° | 109.5° |
| O26 | C25 | H14 | 108.6° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | N18 | H9 | 180.0° | 179.9° |
| C19 | C20 | N21 | H10 | 180.0° | 179.9° |
| C20 | C19 | N18 | C17 | 0.4° | 0.0° |
| C19 | C20 | N21 | C22 | 0.1° | 0.0° |
| N18 | C19 | C20 | N21 | 0.0° | 0.0° |
| C19 | N18 | C17 | C22 | 0.9° | 0.0° |
| C19 | N18 | C17 | O16 | 179.2° | 179.7° |
| N18 | C19 | C20 | H10 | 179.9° | 180.0° |
| C20 | N21 | C22 | C17 | 0.5° | 0.0° |
| C20 | N21 | C22 | N23 | 179.8° | 179.7° |
| N21 | C20 | C19 | H9 | 180.0° | 179.9° |
| O01 | C02 | C03 | C12 | 179.2° | 179.7° |
| O01 | C02 | C03 | N11 | 24.5° | 174.7° |
| O01 | C02 | C03 | N04 | 155.3° | 5.0° |
| O01 | C02 | C12 | C30 | 3.1° | 174.2° |
| O01 | C02 | C12 | C13 | 177.2° | 6.1° |
| N18 | C17 | C22 | N21 | 1.0° | 0.0° |
| N18 | C17 | C22 | O16 | 178.3° | 179.7° |
| N18 | C17 | C22 | N23 | 179.7° | 179.7° |
| N18 | C17 | O16 | C15 | 42.5° | 4.7° |
| C17 | N18 | C19 | H9 | 179.6° | 179.9° |
| N21 | C22 | C17 | N23 | 179.3° | 179.7° |
| N21 | C22 | C17 | O16 | 179.3° | 179.7° |
| N21 | C22 | N23 | C28 | 108.2° | 0.3° |
| N21 | C22 | N23 | C24 | 53.3° | 123.9° |
| C22 | N21 | C20 | H10 | 180.0° | 179.9° |
| C02 | C03 | N11 | N04 | 179.9° | 179.8° |
| C03 | C02 | C12 | C30 | 176.1° | 5.4° |
| C02 | C03 | N11 | C10 | 179.9° | 179.8° |
| C02 | C03 | N04 | C05 | 179.8° | 180.0° |
| C03 | C02 | C12 | C13 | 3.7° | 174.3° |
| C02 | C03 | N04 | H1 | 0.1° | 0.1° |
| C12 | C02 | C03 | N11 | 154.6° | 5.0° |
| C12 | C02 | C03 | N04 | 25.5° | 175.3° |
| C02 | C12 | C30 | C13 | 179.8° | 179.7° |
| C02 | C12 | C30 | C29 | 179.9° | 179.8° |
| C02 | C12 | C13 | C14 | 180.0° | 180.0° |
| C02 | C12 | C13 | H7 | 0.0° | 0.1° |
| C02 | C12 | C30 | H20 | 0.1° | 0.0° |
| N11 | C03 | N04 | C05 | 0.3° | 0.2° |
| C03 | N11 | C10 | C05 | 0.1° | 0.4° |
| C03 | N11 | C10 | C09 | 179.9° | 179.9° |
| N11 | C03 | N04 | H1 | 179.7° | 179.7° |
| N04 | C03 | N11 | C10 | 0.2° | 0.4° |
| C03 | N04 | C05 | H1 | 180.0° | 179.9° |
| C03 | N04 | C05 | C10 | 0.2° | 0.1° |
| C03 | N04 | C05 | C06 | 179.5° | 180.0° |
| C12 | C30 | C29 | H20 | 180.0° | 179.7° |
| C12 | C30 | C29 | C15 | 0.5° | 0.6° |
| C30 | C12 | C13 | C14 | 0.2° | 0.3° |
| C30 | C12 | C13 | H7 | 179.8° | 179.8° |
| C12 | C30 | C29 | H19 | 179.5° | 179.7° |
| C29 | C30 | C12 | C13 | 0.1° | 0.5° |
| C30 | C29 | C15 | H19 | 180.0° | 179.7° |
| C30 | C29 | C15 | C14 | 1.1° | 0.3° |
| C30 | C29 | C15 | O16 | 179.1° | 179.8° |
| N11 | C10 | C05 | N04 | 0.1° | 0.3° |
| N11 | C10 | C05 | C09 | 179.8° | 179.7° |
| N11 | C10 | C05 | C06 | 179.7° | 179.8° |
| N11 | C10 | C09 | C08 | 179.9° | 179.6° |
| N11 | C10 | C09 | H5 | 0.1° | 0.3° |
| N04 | C05 | C10 | C06 | 179.8° | 179.9° |
| N04 | C05 | C10 | C09 | 179.8° | 180.0° |
| N04 | C05 | C06 | C07 | 179.9° | 180.0° |
| N04 | C05 | C06 | H2 | 0.1° | 0.1° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H8 | 179.7° | 180.0° |
| C13 | C12 | C30 | H20 | 179.9° | 179.7° |
| C05 | C10 | C09 | C08 | 0.3° | 0.0° |
| C10 | C05 | C06 | C07 | 0.4° | 0.1° |
| C10 | C05 | N04 | H1 | 179.8° | 179.9° |
| C10 | C05 | C06 | H2 | 179.6° | 180.0° |
| C05 | C10 | C09 | H5 | 179.7° | 180.0° |
| C09 | C10 | C05 | C06 | 0.4° | 0.1° |
| C10 | C09 | C08 | H5 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.1° | 0.0° |
| C10 | C09 | C08 | H4 | 179.9° | 180.0° |
| C05 | C06 | C07 | H2 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.2° | 0.1° |
| C06 | C05 | N04 | H1 | 0.4° | 0.2° |
| C05 | C06 | C07 | H3 | 179.9° | 180.0° |
| C29 | C15 | O16 | C17 | 69.4° | 75.4° |
| C29 | C15 | C14 | C13 | 1.0° | 0.1° |
| C29 | C15 | C14 | O16 | 178.0° | 179.9° |
| C29 | C15 | C14 | H8 | 179.0° | 180.0° |
| C15 | C29 | C30 | H20 | 179.5° | 179.7° |
| C22 | C17 | O16 | C15 | 139.2° | 175.0° |
| C17 | C22 | N23 | C28 | 71.1° | 180.0° |
| C17 | C22 | N23 | C24 | 127.4° | 56.4° |
| O16 | C17 | C22 | N23 | 1.4° | 0.0° |
| C17 | O16 | C15 | C14 | 112.6° | 104.5° |
| C09 | C08 | C07 | C06 | 0.1° | 0.0° |
| C09 | C08 | C07 | H4 | 180.0° | 179.9° |
| C09 | C08 | C07 | H3 | 180.0° | 179.9° |
| C06 | C07 | C08 | H3 | 180.0° | 179.9° |
| C06 | C07 | C08 | H4 | 180.0° | 179.9° |
| C22 | N23 | C28 | C24 | 157.5° | 123.8° |
| C22 | N23 | C28 | C27 | 157.9° | 177.6° |
| C22 | N23 | C24 | C25 | 157.8° | 177.6° |
| C22 | N23 | C24 | H11 | 37.7° | 57.7° |
| C22 | N23 | C24 | H12 | 82.2° | 62.5° |
| C22 | N23 | C28 | H17 | 82.0° | 62.4° |
| C22 | N23 | C28 | H18 | 37.9° | 57.6° |
| C08 | C07 | C06 | H2 | 179.8° | 180.0° |
| C07 | C08 | C09 | H5 | 179.9° | 180.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 179.0° | 180.0° |
| C15 | C14 | C13 | H7 | 179.7° | 180.0° |
| C14 | C15 | C29 | H19 | 178.9° | 180.0° |
| O16 | C15 | C14 | H8 | 1.0° | 0.1° |
| O16 | C15 | C29 | H19 | 0.9° | 0.1° |
| N23 | C28 | C27 | H17 | 120.0° | 119.9° |
| N23 | C28 | C27 | H18 | 120.0° | 119.9° |
| C28 | N23 | C24 | C25 | 42.2° | 58.6° |
| N23 | C28 | C27 | O26 | 46.6° | 56.9° |
| C28 | N23 | C24 | H11 | 162.2° | 178.5° |
| C28 | N23 | C24 | H12 | 77.9° | 61.4° |
| N23 | C28 | C27 | H15 | 166.9° | 63.1° |
| N23 | C28 | C27 | H16 | 73.7° | 176.8° |
| N23 | C28 | H17 | H18 | 119.9° | 120.0° |
| C24 | N23 | C28 | C27 | 44.5° | 58.6° |
| N23 | C24 | C25 | H11 | 120.0° | 120.0° |
| N23 | C24 | C25 | H12 | 120.0° | 120.0° |
| N23 | C24 | C25 | O26 | 42.5° | 56.8° |
| N23 | C24 | H11 | H12 | 119.8° | 120.1° |
| N23 | C24 | C25 | H13 | 78.0° | 63.1° |
| N23 | C24 | C25 | H14 | 163.0° | 176.8° |
| C24 | N23 | C28 | H17 | 75.5° | 61.4° |
| C24 | N23 | C28 | H18 | 164.6° | 178.6° |
| C28 | C27 | O26 | H15 | 120.3° | 120.0° |
| C28 | C27 | O26 | H16 | 120.3° | 120.0° |
| C28 | C27 | O26 | C25 | 54.2° | 58.6° |
| C28 | C27 | H15 | H16 | 119.1° | 120.1° |
| C27 | C28 | H17 | H18 | 120.0° | 120.2° |
| C24 | C25 | O26 | C27 | 52.3° | 58.6° |
| C24 | C25 | O26 | H13 | 120.5° | 119.9° |
| C24 | C25 | O26 | H14 | 120.5° | 120.0° |
| C25 | C24 | H11 | H12 | 119.9° | 120.0° |
| C24 | C25 | H13 | H14 | 118.4° | 120.1° |
| C27 | O26 | C25 | H13 | 68.1° | 61.3° |
| C27 | O26 | C25 | H14 | 172.9° | 178.6° |
| O26 | C27 | H15 | H16 | 119.1° | 120.0° |
| O26 | C27 | C28 | H17 | 73.5° | 63.1° |
| O26 | C27 | C28 | H18 | 166.6° | 176.8° |
| O26 | C25 | C24 | H11 | 162.5° | 176.8° |
| O26 | C25 | C24 | H12 | 77.6° | 63.2° |
| O26 | C25 | H13 | H14 | 118.4° | 120.1° |
| C25 | O26 | C27 | H15 | 174.5° | 61.3° |
| C25 | O26 | C27 | H16 | 66.1° | 178.6° |
| H2 | C06 | C07 | H3 | 0.1° | 0.1° |
| H3 | C07 | C08 | H4 | 0.0° | 0.0° |
| H4 | C08 | C09 | H5 | 0.1° | 0.1° |
| H7 | C13 | C14 | H8 | 0.3° | 0.0° |
| H9 | C19 | C20 | H10 | 0.1° | 0.0° |
| H11 | C24 | C25 | H13 | 42.0° | 56.9° |
| H11 | C24 | C25 | H14 | 77.0° | 63.2° |
| H12 | C24 | C25 | H13 | 161.9° | 176.9° |
| H12 | C24 | C25 | H14 | 43.0° | 56.9° |
| H15 | C27 | C28 | H17 | 46.8° | 177.0° |
| H15 | C27 | C28 | H18 | 73.1° | 56.8° |
| H16 | C27 | C28 | H17 | 166.2° | 56.9° |
| H16 | C27 | C28 | H18 | 46.3° | 63.2° |
| H19 | C29 | C30 | H20 | 0.5° | 0.0° |
