O8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N | trip | 1.14Å | 1.14Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C1 | 119.8° | 120.1° |
| C7 | C6 | C4 | 120.2° | 119.9° |
| C7 | C6 | H3 | 119.9° | 120.1° |
| C6 | C7 | H4 | 120.1° | 120.0° |
| C7 | C1 | O | 114.6° | 119.9° |
| C7 | C1 | C2 | 120.2° | 120.2° |
| C1 | C7 | H4 | 120.0° | 119.9° |
| C6 | C4 | C3 | 119.6° | 119.8° |
| C6 | C4 | C5 | 120.4° | 120.1° |
| C4 | C6 | H3 | 119.9° | 120.0° |
| C1 | O | C | 118.6° | 117.0° |
| O | C1 | C2 | 125.2° | 119.9° |
| O | C | H5 | 109.5° | 109.4° |
| O | C | H6 | 109.5° | 109.4° |
| O | C | H7 | 109.5° | 109.5° |
| C1 | C2 | C3 | 119.9° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.1° |
| C4 | C3 | C2 | 120.2° | 119.9° |
| C4 | C3 | H1 | 119.9° | 120.1° |
| C4 | C5 | N | 178.4° | 179.9° |
| C2 | C3 | H1 | 119.9° | 120.0° |
| C3 | C2 | H2 | 120.0° | 119.9° |
| H5 | C | H6 | 109.5° | 109.5° |
| H5 | C | H7 | 109.5° | 109.5° |
| H6 | C | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C1 | H4 | 180.0° | 179.4° |
| C7 | C6 | C4 | H3 | 180.0° | 179.9° |
| C6 | C7 | C1 | O | 178.7° | 179.9° |
| C6 | C7 | C1 | C2 | 1.1° | 0.8° |
| C7 | C6 | C4 | C3 | 2.3° | 0.1° |
| C7 | C6 | C4 | C5 | 173.4° | 179.7° |
| C1 | C7 | C6 | C4 | 0.9° | 0.6° |
| C7 | C1 | O | C2 | 179.8° | 179.3° |
| C7 | C1 | O | C | 153.2° | 180.0° |
| C7 | C1 | C2 | C3 | 1.6° | 0.5° |
| C7 | C1 | C2 | H2 | 178.4° | 179.5° |
| C1 | C7 | C6 | H3 | 179.2° | 179.5° |
| C6 | C4 | C3 | C5 | 175.7° | 179.7° |
| C6 | C4 | C3 | C2 | 1.8° | 0.2° |
| C6 | C4 | C5 | N | 163.9° | 45.2° |
| C6 | C4 | C3 | H1 | 178.2° | 179.8° |
| C4 | C6 | C7 | H4 | 179.1° | 180.0° |
| O | C1 | C2 | C3 | 178.2° | 179.8° |
| O | C1 | C2 | H2 | 1.9° | 0.2° |
| O | C1 | C7 | H4 | 1.3° | 0.5° |
| C1 | O | C | H5 | 180.0° | 179.9° |
| C1 | O | C | H6 | 60.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 60.0° |
| C | O | C1 | C2 | 26.5° | 0.7° |
| O | C | H5 | H6 | 120.0° | 119.9° |
| O | C | H5 | H7 | 120.0° | 120.0° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | H1 | 179.8° | 179.9° |
| C2 | C1 | C7 | H4 | 178.9° | 179.8° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | N | 11.8° | 135.1° |
| C4 | C3 | C2 | H2 | 179.8° | 179.9° |
| C3 | C4 | C6 | H3 | 177.8° | 179.9° |
| C5 | C4 | C3 | C2 | 174.0° | 180.0° |
| C5 | C4 | C3 | H1 | 6.0° | 0.1° |
| C5 | C4 | C6 | H3 | 6.5° | 0.2° |
| H1 | C3 | C2 | H2 | 0.2° | 0.0° |
| H3 | C6 | C7 | H4 | 0.9° | 0.1° |
| H5 | C | H6 | H7 | 120.0° | 120.1° |
