Q2O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C3 | sing | 1.39Å | 1.35Å | |
| C | N | sing | 1.46Å | 1.46Å | |
| C3 | N | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C1 | doub | 1.31Å | 1.33Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C3 | N | 122.3° | 126.2° |
| N2 | C3 | C2 | 130.8° | 126.2° |
| C3 | N2 | H6 | 109.5° | 120.0° |
| C3 | N2 | H7 | 109.5° | 120.0° |
| C | N | C3 | 129.1° | 126.1° |
| C | N | N1 | 119.2° | 126.0° |
| N | C | H1 | 109.5° | 109.4° |
| N | C | H2 | 109.4° | 109.4° |
| N | C | H3 | 109.5° | 109.5° |
| N | C3 | C2 | 106.9° | 107.6° |
| C3 | N | N1 | 111.7° | 107.9° |
| C3 | C2 | C1 | 104.3° | 107.8° |
| C3 | C2 | H5 | 127.8° | 126.1° |
| N | N1 | C1 | 104.3° | 108.3° |
| C2 | C1 | N1 | 112.8° | 108.4° |
| C2 | C1 | H4 | 123.6° | 125.8° |
| C1 | C2 | H5 | 127.8° | 126.1° |
| N1 | C1 | H4 | 123.6° | 125.8° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
| H6 | N2 | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C3 | N | C | 4.2° | 0.2° |
| N2 | C3 | N | C2 | 178.6° | 180.0° |
| N2 | C3 | N | N1 | 178.1° | 180.0° |
| N2 | C3 | C2 | C1 | 178.1° | 179.8° |
| N2 | C3 | C2 | H5 | 1.9° | 0.2° |
| C3 | N2 | H6 | H7 | 120.0° | 180.0° |
| C | N | C3 | N1 | 177.7° | 179.8° |
| C | N | C3 | C2 | 177.2° | 179.8° |
| C | N | N1 | C1 | 177.6° | 180.0° |
| N | C | H1 | H2 | 120.0° | 119.9° |
| N | C | H1 | H3 | 120.0° | 120.0° |
| N | C | H2 | H3 | 120.0° | 120.0° |
| N | C3 | C2 | C1 | 0.4° | 0.3° |
| C3 | N | N1 | C1 | 0.4° | 0.2° |
| C3 | N | C | H1 | 177.6° | 89.7° |
| C3 | N | C | H2 | 62.4° | 30.2° |
| C3 | N | C | H3 | 57.6° | 150.2° |
| N | C3 | C2 | H5 | 179.7° | 179.8° |
| N | C3 | N2 | H6 | 180.0° | 0.0° |
| N | C3 | N2 | H7 | 60.0° | 180.0° |
| C2 | C3 | N | N1 | 0.5° | 0.0° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 0.1° | 0.4° |
| C3 | C2 | C1 | H4 | 179.9° | 179.9° |
| C2 | C3 | N2 | H6 | 1.8° | 180.0° |
| C2 | C3 | N2 | H7 | 121.8° | 0.0° |
| N | N1 | C1 | C2 | 0.2° | 0.4° |
| N1 | N | C | H1 | 0.0° | 90.0° |
| N1 | N | C | H2 | 120.0° | 150.0° |
| N1 | N | C | H3 | 120.0° | 30.0° |
| N | N1 | C1 | H4 | 179.8° | 180.0° |
| C2 | C1 | N1 | H4 | 180.0° | 179.6° |
| N1 | C1 | C2 | H5 | 179.9° | 179.6° |
| H1 | C | H2 | H3 | 120.0° | 120.1° |
| H4 | C1 | C2 | H5 | 0.1° | 0.0° |
