U8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C6 | sing | 1.37Å | 1.37Å | |
| N | C5 | sing | 1.35Å | 1.38Å | |
| O | C5 | doub | 1.22Å | 1.23Å | |
| C6 | C7 | doub | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.47Å | 1.47Å | |
| C7 | O1 | sing | 1.36Å | 1.33Å | |
| C7 | C8 | sing | 1.47Å | 1.46Å | |
| C4 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.38Å | Aromatic |
| C | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N | C5 | 124.9° | 122.2° |
| N | C6 | C7 | 121.6° | 122.3° |
| N | C6 | H4 | 119.2° | 118.8° |
| C6 | N | H5 | 117.5° | 118.9° |
| N | C5 | O | 121.1° | 120.3° |
| N | C5 | C4 | 115.0° | 119.4° |
| C5 | N | H5 | 117.6° | 118.9° |
| O | C5 | C4 | 123.7° | 120.3° |
| C6 | C7 | O1 | 125.2° | 120.3° |
| C6 | C7 | C8 | 119.0° | 119.4° |
| C7 | C6 | H4 | 119.2° | 118.9° |
| C5 | C4 | C8 | 120.3° | 118.4° |
| C5 | C4 | C3 | 120.1° | 122.1° |
| O1 | C7 | C8 | 115.5° | 120.3° |
| C7 | O1 | H6 | 109.5° | 114.0° |
| C7 | C8 | C4 | 119.1° | 118.4° |
| C7 | C8 | C | 121.9° | 122.0° |
| C8 | C4 | C3 | 119.6° | 119.6° |
| C4 | C8 | C | 119.1° | 119.6° |
| C4 | C3 | C2 | 120.3° | 119.5° |
| C4 | C3 | H3 | 119.9° | 120.2° |
| C8 | C | C1 | 120.3° | 119.5° |
| C8 | C | H2 | 119.8° | 120.2° |
| C3 | C2 | C1 | 120.2° | 120.9° |
| C3 | C2 | H1 | 119.9° | 119.5° |
| C2 | C3 | H3 | 119.9° | 120.2° |
| C | C1 | C2 | 120.5° | 120.9° |
| C1 | C | H2 | 119.9° | 120.2° |
| C | C1 | H7 | 119.8° | 119.6° |
| C1 | C2 | H1 | 119.9° | 119.6° |
| C2 | C1 | H7 | 119.8° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N | C5 | H5 | 180.0° | 179.8° |
| C6 | N | C5 | O | 172.6° | 179.9° |
| N | C6 | C7 | H4 | 180.0° | 179.9° |
| C6 | N | C5 | C4 | 3.0° | 0.1° |
| N | C6 | C7 | O1 | 170.6° | 180.0° |
| N | C6 | C7 | C8 | 2.3° | 0.0° |
| N | C5 | O | C4 | 175.1° | 180.0° |
| C5 | N | C6 | C7 | 1.3° | 0.1° |
| N | C5 | C4 | C8 | 1.1° | 0.0° |
| N | C5 | C4 | C3 | 179.5° | 180.0° |
| C5 | N | C6 | H4 | 178.7° | 180.0° |
| O | C5 | C4 | C8 | 174.3° | 180.0° |
| O | C5 | C4 | C3 | 5.1° | 0.0° |
| O | C5 | N | H5 | 7.4° | 0.1° |
| C6 | C7 | O1 | C8 | 173.1° | 180.0° |
| C6 | C7 | C8 | C4 | 3.9° | 0.0° |
| C6 | C7 | C8 | C | 176.6° | 180.0° |
| C7 | C6 | N | H5 | 178.7° | 179.9° |
| C6 | C7 | O1 | H6 | 180.0° | 0.0° |
| C5 | C4 | C8 | C7 | 2.1° | 0.0° |
| C5 | C4 | C8 | C3 | 179.4° | 180.0° |
| C5 | C4 | C8 | C | 178.4° | 180.0° |
| C5 | C4 | C3 | C2 | 178.5° | 180.0° |
| C5 | C4 | C3 | H3 | 1.5° | 0.1° |
| C4 | C5 | N | H5 | 177.0° | 179.9° |
| O1 | C7 | C8 | C4 | 169.7° | 180.0° |
| O1 | C7 | C8 | C | 9.8° | 0.0° |
| O1 | C7 | C6 | H4 | 9.4° | 0.1° |
| C7 | C8 | C4 | C | 179.5° | 180.0° |
| C7 | C8 | C4 | C3 | 177.3° | 180.0° |
| C7 | C8 | C | C1 | 178.8° | 180.0° |
| C7 | C8 | C | H2 | 1.2° | 0.1° |
| C8 | C7 | C6 | H4 | 177.7° | 179.9° |
| C8 | C7 | O1 | H6 | 6.9° | 180.0° |
| C8 | C4 | C3 | C2 | 2.0° | 0.0° |
| C4 | C8 | C | C1 | 0.7° | 0.0° |
| C4 | C8 | C | H2 | 179.3° | 179.9° |
| C8 | C4 | C3 | H3 | 178.0° | 179.9° |
| C3 | C4 | C8 | C | 2.2° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H1 | 179.6° | 179.8° |
| C8 | C | C1 | H2 | 180.0° | 179.9° |
| C8 | C | C1 | C2 | 1.0° | 0.0° |
| C8 | C | C1 | H7 | 179.0° | 179.7° |
| C3 | C2 | C1 | C | 1.2° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | H7 | 178.8° | 179.7° |
| C | C1 | C2 | H7 | 180.0° | 179.7° |
| C | C1 | C2 | H1 | 178.8° | 179.8° |
| C2 | C1 | C | H2 | 179.0° | 179.9° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| H1 | C2 | C3 | H3 | 0.4° | 0.3° |
| H1 | C2 | C1 | H7 | 1.2° | 0.1° |
| H2 | C | C1 | H7 | 1.0° | 0.4° |
| H4 | C6 | N | H5 | 1.3° | 0.2° |
