W2O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.38Å | 1.35Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.34Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.47Å | |
| C7 | N1 | sing | 1.47Å | 1.53Å | |
| N | C8 | sing | 1.35Å | 1.33Å | |
| C8 | O | doub | 1.21Å | 1.21Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C5 | 118.4° | 120.0° |
| C | C1 | C2 | 120.1° | 120.0° |
| C | C1 | H5 | 120.0° | 120.0° |
| C1 | C | H13 | 120.8° | 119.9° |
| C | C5 | C4 | 121.7° | 120.0° |
| C | C5 | H6 | 119.2° | 120.0° |
| C5 | C | H13 | 120.8° | 120.1° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C2 | C1 | H5 | 119.9° | 120.0° |
| C1 | C2 | H10 | 119.9° | 120.0° |
| C5 | C4 | C3 | 119.0° | 120.0° |
| C4 | C5 | H6 | 119.2° | 120.0° |
| C5 | C4 | H9 | 120.5° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | C6 | 121.3° | 120.0° |
| C3 | C2 | H10 | 119.9° | 120.0° |
| C4 | C3 | C6 | 118.0° | 120.0° |
| C3 | C4 | H9 | 120.5° | 120.0° |
| C3 | C6 | C7 | 108.7° | 109.5° |
| C3 | C6 | H7 | 109.7° | 109.5° |
| C3 | C6 | H8 | 109.7° | 109.4° |
| C6 | C7 | C8 | 107.3° | 109.5° |
| C6 | C7 | N1 | 110.3° | 109.5° |
| C6 | C7 | H4 | 110.3° | 109.5° |
| C7 | C6 | H7 | 109.7° | 109.5° |
| C7 | C6 | H8 | 109.7° | 109.4° |
| C8 | C7 | N1 | 107.3° | 109.5° |
| C7 | C8 | N | 116.1° | 120.0° |
| C7 | C8 | O | 116.7° | 120.0° |
| C8 | C7 | H4 | 111.1° | 109.4° |
| C7 | N1 | H1 | 109.5° | 111.0° |
| C7 | N1 | H2 | 109.5° | 111.0° |
| N1 | C7 | H4 | 110.4° | 109.5° |
| N | C8 | O | 127.3° | 120.0° |
| C8 | N | H11 | 120.0° | 120.0° |
| C8 | N | H12 | 120.0° | 120.0° |
| H1 | N1 | H2 | 109.4° | 111.0° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H11 | N | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C5 | H13 | 180.0° | 179.9° |
| C | C1 | C2 | H5 | 180.0° | 179.7° |
| C1 | C | C5 | C4 | 0.5° | 0.0° |
| C | C1 | C2 | C3 | 0.2° | 0.2° |
| C1 | C | C5 | H6 | 179.6° | 179.7° |
| C | C1 | C2 | H10 | 179.8° | 179.8° |
| C5 | C | C1 | C2 | 0.3° | 0.0° |
| C | C5 | C4 | H6 | 180.0° | 179.7° |
| C | C5 | C4 | C3 | 0.0° | 0.3° |
| C5 | C | C1 | H5 | 179.7° | 179.7° |
| C | C5 | C4 | H9 | 180.0° | 179.7° |
| C1 | C2 | C3 | H10 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.6° |
| C1 | C2 | C3 | C6 | 177.8° | 180.0° |
| C2 | C1 | C | H13 | 179.7° | 179.9° |
| C5 | C4 | C3 | C2 | 0.6° | 0.6° |
| C5 | C4 | C3 | H9 | 180.0° | 180.0° |
| C5 | C4 | C3 | C6 | 177.9° | 180.0° |
| C4 | C5 | C | H13 | 179.6° | 179.9° |
| C2 | C3 | C4 | C6 | 178.5° | 179.5° |
| C2 | C3 | C6 | C7 | 71.2° | 90.5° |
| C3 | C2 | C1 | H5 | 179.7° | 180.0° |
| C2 | C3 | C6 | H7 | 48.7° | 149.5° |
| C2 | C3 | C6 | H8 | 168.9° | 29.4° |
| C2 | C3 | C4 | H9 | 179.4° | 179.4° |
| C4 | C3 | C6 | C7 | 110.3° | 90.0° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C4 | C3 | C6 | H7 | 129.8° | 30.0° |
| C4 | C3 | C6 | H8 | 9.6° | 150.1° |
| C4 | C3 | C2 | H10 | 179.3° | 179.5° |
| C3 | C6 | C7 | H7 | 119.9° | 120.0° |
| C3 | C6 | C7 | H8 | 119.9° | 119.9° |
| C3 | C6 | C7 | C8 | 71.5° | 175.0° |
| C3 | C6 | C7 | N1 | 171.9° | 65.0° |
| C3 | C6 | C7 | H4 | 49.6° | 55.0° |
| C3 | C6 | H7 | H8 | 120.4° | 120.0° |
| C6 | C3 | C4 | H9 | 2.1° | 0.0° |
| C6 | C3 | C2 | H10 | 2.2° | 0.0° |
| C6 | C7 | C8 | N1 | 118.6° | 120.0° |
| C6 | C7 | C8 | H4 | 120.6° | 120.0° |
| C6 | C7 | N1 | H4 | 122.2° | 120.1° |
| C6 | C7 | C8 | N | 124.5° | 80.0° |
| C6 | C7 | C8 | O | 54.8° | 100.0° |
| C6 | C7 | N1 | H1 | 180.0° | 64.0° |
| C6 | C7 | N1 | H2 | 60.0° | 60.0° |
| C7 | C6 | H7 | H8 | 120.3° | 120.0° |
| C8 | C7 | N1 | H4 | 121.3° | 120.0° |
| C7 | C8 | N | O | 179.2° | 179.9° |
| C8 | C7 | N1 | H1 | 63.4° | 176.0° |
| C8 | C7 | N1 | H2 | 176.6° | 60.0° |
| C8 | C7 | C6 | H7 | 168.6° | 55.0° |
| C8 | C7 | C6 | H8 | 48.4° | 65.0° |
| C7 | C8 | N | H11 | 179.2° | 0.0° |
| C7 | C8 | N | H12 | 0.8° | 180.0° |
| N1 | C7 | C8 | N | 116.9° | 160.0° |
| N1 | C7 | C8 | O | 63.8° | 20.0° |
| C7 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C7 | C6 | H7 | 52.0° | 175.0° |
| N1 | C7 | C6 | H8 | 68.2° | 54.9° |
| N | C8 | C7 | H4 | 3.9° | 40.0° |
| C8 | N | H11 | H12 | 180.0° | 179.9° |
| O | C8 | C7 | H4 | 175.4° | 139.9° |
| O | C8 | N | H11 | 0.0° | 180.0° |
| O | C8 | N | H12 | 180.0° | 0.1° |
| H1 | N1 | C7 | H4 | 57.8° | 56.1° |
| H2 | N1 | C7 | H4 | 62.2° | 180.0° |
| H4 | C7 | C6 | H7 | 70.2° | 65.0° |
| H4 | C7 | C6 | H8 | 169.5° | 175.0° |
| H5 | C1 | C2 | H10 | 0.2° | 0.0° |
| H5 | C1 | C | H13 | 0.3° | 0.2° |
| H6 | C5 | C4 | H9 | 0.0° | 0.0° |
| H6 | C5 | C | H13 | 0.4° | 0.2° |
