2O5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C16 | doub | 1.21Å | 1.35Å | |
| C16 | O | sing | 1.34Å | 1.22Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | N3 | sing | 1.40Å | 1.37Å | |
| C9 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| N3 | C8 | sing | 1.38Å | 1.35Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| N1 | C7 | sing | 1.32Å | 1.37Å | Aromatic |
| N2 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C7 | C17 | sing | 1.51Å | 1.47Å | |
| C7 | N | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C6 | N | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | C2 | sing | 1.48Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| CL | C4 | sing | 1.74Å | 1.81Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.39Å | Aromatic |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C16 | O | 119.2° | 120.0° |
| O1 | C16 | C15 | 122.9° | 120.0° |
| O | C16 | C15 | 117.9° | 120.0° |
| C16 | O | H1 | 109.5° | 117.0° |
| C16 | C15 | C12 | 110.0° | 109.5° |
| C16 | C15 | H2 | 109.3° | 109.4° |
| C16 | C15 | H3 | 109.3° | 109.4° |
| C14 | C13 | C12 | 120.6° | 120.1° |
| C13 | C14 | C9 | 120.3° | 120.0° |
| C14 | C13 | H6 | 119.7° | 120.0° |
| C13 | C14 | H7 | 119.8° | 120.0° |
| C13 | C12 | C15 | 119.6° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.1° |
| C12 | C13 | H6 | 119.7° | 120.0° |
| C14 | C9 | N3 | 119.9° | 120.1° |
| C14 | C9 | C10 | 119.6° | 119.8° |
| C9 | C14 | H7 | 119.8° | 120.0° |
| C15 | C12 | C11 | 120.5° | 119.9° |
| C12 | C15 | H2 | 109.3° | 109.5° |
| C12 | C15 | H3 | 109.4° | 109.5° |
| C12 | C11 | C10 | 120.0° | 120.1° |
| C12 | C11 | H4 | 120.0° | 119.9° |
| N3 | C9 | C10 | 120.3° | 120.1° |
| C9 | N3 | C8 | 120.4° | 120.0° |
| C9 | N3 | H8 | 119.8° | 120.0° |
| C9 | C10 | C11 | 119.9° | 120.0° |
| C9 | C10 | H5 | 120.0° | 120.0° |
| N3 | C8 | N1 | 119.2° | 120.0° |
| N3 | C8 | N2 | 121.2° | 120.1° |
| C8 | N3 | H8 | 119.8° | 120.0° |
| C17 | C18 | C19 | 59.5° | 60.0° |
| C18 | C17 | C7 | 119.1° | 117.5° |
| C18 | C17 | C19 | 60.2° | 60.0° |
| C18 | C17 | H9 | 117.3° | 117.6° |
| C17 | C18 | H12 | 120.1° | 117.5° |
| C17 | C18 | H13 | 120.1° | 117.5° |
| C18 | C19 | C17 | 60.2° | 60.0° |
| C18 | C19 | H10 | 119.9° | 117.5° |
| C18 | C19 | H11 | 119.9° | 117.5° |
| C19 | C18 | H12 | 120.1° | 117.5° |
| C19 | C18 | H13 | 120.1° | 117.5° |
| C10 | C11 | H4 | 120.0° | 120.0° |
| C11 | C10 | H5 | 120.0° | 120.0° |
| N1 | C8 | N2 | 119.6° | 119.9° |
| C8 | N1 | C7 | 120.4° | 120.1° |
| C8 | N2 | C6 | 120.3° | 119.9° |
| N1 | C7 | C17 | 119.0° | 119.9° |
| N1 | C7 | N | 120.2° | 120.2° |
| N2 | C6 | N | 120.1° | 119.9° |
| N2 | C6 | C2 | 119.9° | 120.1° |
| C17 | C7 | N | 120.8° | 119.9° |
| C7 | C17 | C19 | 110.5° | 117.5° |
| C7 | C17 | H9 | 118.4° | 115.5° |
| C7 | N | C6 | 119.3° | 120.1° |
| C19 | C17 | H9 | 117.5° | 117.5° |
| C17 | C19 | H10 | 120.0° | 117.5° |
| C17 | C19 | H11 | 120.0° | 117.5° |
| N | C6 | C2 | 120.0° | 120.0° |
| C6 | C2 | C3 | 119.9° | 120.1° |
| C6 | C2 | C1 | 119.9° | 120.1° |
| C2 | C3 | C4 | 120.2° | 119.8° |
| C3 | C2 | C1 | 120.2° | 119.8° |
| C2 | C3 | H15 | 119.9° | 120.1° |
| C3 | C4 | CL | 119.8° | 119.9° |
| C3 | C4 | C5 | 119.8° | 120.1° |
| C4 | C3 | H15 | 119.9° | 120.1° |
| C2 | C1 | C | 119.7° | 119.9° |
| C2 | C1 | H14 | 120.1° | 120.1° |
| CL | C4 | C5 | 120.4° | 119.9° |
| C4 | C5 | C | 120.0° | 120.2° |
| C4 | C5 | H16 | 120.0° | 119.9° |
| C1 | C | C5 | 120.0° | 120.2° |
| C | C1 | H14 | 120.1° | 120.1° |
| C1 | C | H17 | 120.0° | 119.9° |
| C | C5 | H16 | 120.0° | 119.8° |
| C5 | C | H17 | 120.0° | 119.9° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| H10 | C19 | H11 | 109.5° | 115.5° |
| H12 | C18 | H13 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C16 | O | C15 | 178.1° | 180.0° |
| O1 | C16 | C15 | C12 | 23.5° | 0.0° |
| O1 | C16 | O | H1 | 0.0° | 0.0° |
| O1 | C16 | C15 | H2 | 143.6° | 120.0° |
| O1 | C16 | C15 | H3 | 96.6° | 120.0° |
| O | C16 | C15 | C12 | 158.5° | 180.0° |
| O | C16 | C15 | H2 | 38.4° | 60.0° |
| O | C16 | C15 | H3 | 81.4° | 60.0° |
| C16 | C15 | C12 | C13 | 97.5° | 90.3° |
| C16 | C15 | C12 | H2 | 120.1° | 120.0° |
| C16 | C15 | C12 | H3 | 120.1° | 120.0° |
| C16 | C15 | C12 | C11 | 88.4° | 90.1° |
| C15 | C16 | O | H1 | 178.1° | 180.0° |
| C16 | C15 | H2 | H3 | 119.7° | 120.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C13 | C14 | C9 | H7 | 180.0° | 179.9° |
| C14 | C13 | C12 | C15 | 176.1° | 180.0° |
| C14 | C13 | C12 | C11 | 2.0° | 0.3° |
| C13 | C14 | C9 | N3 | 175.2° | 180.0° |
| C13 | C14 | C9 | C10 | 0.4° | 0.2° |
| C12 | C13 | C14 | C9 | 1.4° | 0.1° |
| C13 | C12 | C15 | C11 | 174.1° | 179.7° |
| C13 | C12 | C11 | C10 | 1.7° | 0.4° |
| C13 | C12 | C15 | H2 | 142.4° | 149.7° |
| C13 | C12 | C15 | H3 | 22.6° | 29.7° |
| C13 | C12 | C11 | H4 | 178.3° | 179.8° |
| C12 | C13 | C14 | H7 | 178.6° | 180.0° |
| C14 | C9 | N3 | C10 | 174.8° | 179.8° |
| C14 | C9 | N3 | C8 | 147.6° | 142.5° |
| C14 | C9 | C10 | C11 | 0.1° | 0.2° |
| C14 | C9 | C10 | H5 | 179.9° | 179.8° |
| C9 | C14 | C13 | H6 | 178.6° | 180.0° |
| C14 | C9 | N3 | H8 | 32.4° | 37.5° |
| C15 | C12 | C11 | C10 | 175.8° | 180.0° |
| C12 | C15 | H2 | H3 | 119.7° | 120.0° |
| C15 | C12 | C11 | H4 | 4.2° | 0.1° |
| C15 | C12 | C13 | H6 | 3.9° | 0.0° |
| C12 | C11 | C10 | C9 | 0.8° | 0.1° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C11 | C12 | C15 | H2 | 31.7° | 29.9° |
| C11 | C12 | C15 | H3 | 151.5° | 150.0° |
| C12 | C11 | C10 | H5 | 179.3° | 180.0° |
| C11 | C12 | C13 | H6 | 178.0° | 179.7° |
| C9 | N3 | C8 | H8 | 180.0° | 180.0° |
| N3 | C9 | C10 | C11 | 174.9° | 180.0° |
| C9 | N3 | C8 | N1 | 174.2° | 174.4° |
| C9 | N3 | C8 | N2 | 3.9° | 5.9° |
| N3 | C9 | C10 | H5 | 5.1° | 0.0° |
| N3 | C9 | C14 | H7 | 4.8° | 0.1° |
| C10 | C9 | N3 | C8 | 27.2° | 37.8° |
| C9 | C10 | C11 | H5 | 180.0° | 179.9° |
| C9 | C10 | C11 | H4 | 179.2° | 180.0° |
| C10 | C9 | C14 | H7 | 179.6° | 179.7° |
| C10 | C9 | N3 | H8 | 152.8° | 142.3° |
| N3 | C8 | N1 | N2 | 178.1° | 179.8° |
| N3 | C8 | N1 | C7 | 179.1° | 180.0° |
| N3 | C8 | N2 | C6 | 179.8° | 179.8° |
| C17 | C18 | C19 | H12 | 109.3° | 107.5° |
| C17 | C18 | C19 | H13 | 109.3° | 107.4° |
| C18 | C17 | C7 | N1 | 25.7° | 8.6° |
| C18 | C17 | C7 | C19 | 66.5° | 68.6° |
| C18 | C17 | C7 | H9 | 153.8° | 145.8° |
| C18 | C17 | C7 | N | 154.5° | 171.4° |
| C18 | C17 | C19 | H9 | 107.3° | 107.5° |
| C17 | C18 | C19 | H10 | 109.6° | 107.5° |
| C17 | C18 | C19 | H11 | 109.6° | 107.5° |
| C17 | C18 | H12 | H13 | 145.0° | 145.6° |
| C18 | C19 | H10 | H11 | 144.6° | 145.8° |
| C19 | C18 | H12 | H13 | 145.0° | 145.8° |
| N1 | C8 | N2 | C6 | 1.7° | 0.5° |
| C8 | N1 | C7 | C17 | 177.3° | 180.0° |
| C8 | N1 | C7 | N | 2.6° | 0.0° |
| N1 | C8 | N3 | H8 | 5.8° | 5.7° |
| N2 | C8 | N1 | C7 | 2.8° | 0.2° |
| C8 | N2 | C6 | N | 0.2° | 0.4° |
| C8 | N2 | C6 | C2 | 178.4° | 180.0° |
| N2 | C8 | N3 | H8 | 176.1° | 174.1° |
| N1 | C7 | C17 | N | 179.9° | 180.0° |
| N1 | C7 | C17 | C19 | 40.9° | 60.0° |
| N1 | C7 | N | C6 | 1.1° | 0.0° |
| N1 | C7 | C17 | H9 | 179.4° | 154.3° |
| N2 | C6 | N | C7 | 0.0° | 0.2° |
| N2 | C6 | N | C2 | 178.7° | 179.6° |
| N2 | C6 | C2 | C3 | 0.9° | 179.7° |
| N2 | C6 | C2 | C1 | 178.9° | 0.0° |
| C7 | C17 | C19 | H9 | 140.1° | 145.0° |
| C17 | C7 | N | C6 | 178.8° | 180.0° |
| C7 | C17 | C19 | H10 | 3.1° | 145.0° |
| C7 | C17 | C19 | H11 | 137.9° | 0.0° |
| C7 | C17 | C18 | H12 | 11.1° | 0.1° |
| C7 | C17 | C18 | H13 | 152.4° | 145.0° |
| N | C7 | C17 | C19 | 139.0° | 120.0° |
| C7 | N | C6 | C2 | 178.7° | 179.8° |
| N | C7 | C17 | H9 | 0.7° | 25.6° |
| C17 | C19 | H10 | H11 | 144.7° | 145.6° |
| N | C6 | C2 | C3 | 179.5° | 0.7° |
| N | C6 | C2 | C1 | 0.2° | 179.5° |
| C6 | C2 | C3 | C1 | 179.8° | 179.8° |
| C6 | C2 | C3 | C4 | 179.2° | 180.0° |
| C6 | C2 | C1 | C | 180.0° | 180.0° |
| C6 | C2 | C1 | H14 | 0.0° | 0.0° |
| C6 | C2 | C3 | H15 | 0.8° | 0.0° |
| C2 | C3 | C4 | H15 | 180.0° | 180.0° |
| C2 | C3 | C4 | CL | 177.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C1 | C | 0.2° | 0.2° |
| C3 | C2 | C1 | H14 | 179.8° | 179.8° |
| C4 | C3 | C2 | C1 | 1.0° | 0.3° |
| C3 | C4 | CL | C5 | 179.0° | 180.0° |
| C3 | C4 | C5 | C | 0.4° | 0.3° |
| C3 | C4 | C5 | H16 | 179.6° | 179.9° |
| C2 | C1 | C | H14 | 180.0° | 180.0° |
| C2 | C1 | C | C5 | 0.4° | 0.0° |
| C1 | C2 | C3 | H15 | 179.0° | 179.7° |
| C2 | C1 | C | H17 | 179.5° | 180.0° |
| CL | C4 | C5 | C | 178.5° | 179.7° |
| CL | C4 | C3 | H15 | 2.1° | 0.0° |
| CL | C4 | C5 | H16 | 1.4° | 0.0° |
| C4 | C5 | C | C1 | 0.3° | 0.3° |
| C4 | C5 | C | H16 | 180.0° | 179.7° |
| C5 | C4 | C3 | H15 | 178.9° | 180.0° |
| C4 | C5 | C | H17 | 179.7° | 179.8° |
| C1 | C | C5 | H17 | 180.0° | 179.9° |
| C1 | C | C5 | H16 | 179.7° | 180.0° |
| C5 | C | C1 | H14 | 179.6° | 180.0° |
| H4 | C11 | C10 | H5 | 0.8° | 0.1° |
| H6 | C13 | C14 | H7 | 1.4° | 0.1° |
| H9 | C17 | C19 | H10 | 143.2° | 0.0° |
| H9 | C17 | C19 | H11 | 2.2° | 144.9° |
| H9 | C17 | C18 | H12 | 143.0° | 144.9° |
| H9 | C17 | C18 | H13 | 1.7° | 0.0° |
| H10 | C19 | C18 | H12 | 0.2° | 145.1° |
| H10 | C19 | C18 | H13 | 141.1° | 0.0° |
| H11 | C19 | C18 | H12 | 141.1° | 0.0° |
| H11 | C19 | C18 | H13 | 0.2° | 145.1° |
| H14 | C1 | C | H17 | 0.5° | 0.0° |
| H16 | C5 | C | H17 | 0.4° | 0.1° |
