C2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.47Å | 1.45Å | Aromatic |
| O1 | C1 | sing | 1.45Å | 1.45Å | |
| O1 | C | sing | 1.35Å | 1.33Å | |
| C4 | N | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C | sing | 1.47Å | 1.45Å | |
| C2 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C | O | doub | 1.22Å | 1.20Å | |
| N | C3 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.7° | 120.2° |
| C7 | C8 | C9 | 120.9° | 120.7° |
| C8 | C7 | H2 | 119.6° | 119.9° |
| C7 | C8 | H3 | 119.5° | 119.6° |
| C7 | C6 | C5 | 119.6° | 119.7° |
| C7 | C6 | H1 | 120.2° | 120.2° |
| C6 | C7 | H2 | 119.7° | 119.9° |
| C8 | C9 | C4 | 118.1° | 119.9° |
| C9 | C8 | H3 | 119.5° | 119.7° |
| C8 | C9 | H4 | 121.0° | 120.0° |
| C6 | C5 | C4 | 118.5° | 120.1° |
| C6 | C5 | C2 | 134.3° | 134.0° |
| C5 | C6 | H1 | 120.2° | 120.1° |
| C9 | C4 | C5 | 122.2° | 119.4° |
| C9 | C4 | N | 130.3° | 133.1° |
| C4 | C9 | H4 | 121.0° | 120.1° |
| C4 | C5 | C2 | 107.2° | 105.9° |
| C5 | C4 | N | 107.4° | 107.5° |
| C5 | C2 | C | 129.5° | 126.8° |
| C5 | C2 | C3 | 105.7° | 106.4° |
| C1 | O1 | C | 115.9° | 117.0° |
| O1 | C1 | H6 | 109.5° | 109.4° |
| O1 | C1 | H7 | 109.5° | 109.5° |
| O1 | C1 | H8 | 109.5° | 109.5° |
| O1 | C | C2 | 111.8° | 120.0° |
| O1 | C | O | 123.8° | 120.0° |
| C4 | N | C3 | 109.4° | 110.4° |
| C4 | N | H5 | 125.3° | 124.8° |
| C | C2 | C3 | 124.6° | 126.8° |
| C2 | C | O | 124.3° | 120.0° |
| C2 | C3 | N | 110.3° | 109.8° |
| C2 | C3 | H9 | 124.9° | 125.1° |
| C3 | N | H5 | 125.3° | 124.8° |
| N | C3 | H9 | 124.9° | 125.1° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H2 | 180.0° | 179.8° |
| C7 | C8 | C9 | H3 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C7 | C8 | C9 | C4 | 1.0° | 0.5° |
| C8 | C7 | C6 | H1 | 179.4° | 180.0° |
| C7 | C8 | C9 | H4 | 179.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.6° | 0.2° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 1.3° | 0.0° |
| C7 | C6 | C5 | C2 | 176.4° | 180.0° |
| C6 | C7 | C8 | H3 | 179.4° | 180.0° |
| C8 | C9 | C4 | H4 | 180.0° | 179.5° |
| C8 | C9 | C4 | C5 | 0.4° | 0.5° |
| C8 | C9 | C4 | N | 177.7° | 179.8° |
| C9 | C8 | C7 | H2 | 179.4° | 180.0° |
| C6 | C5 | C4 | C9 | 0.8° | 0.3° |
| C6 | C5 | C4 | C2 | 178.2° | 180.0° |
| C6 | C5 | C4 | N | 179.2° | 180.0° |
| C6 | C5 | C2 | C | 4.7° | 0.0° |
| C6 | C5 | C2 | C3 | 178.9° | 180.0° |
| C5 | C6 | C7 | H2 | 179.4° | 179.8° |
| C9 | C4 | C5 | N | 178.5° | 179.7° |
| C9 | C4 | C5 | C2 | 177.5° | 179.8° |
| C9 | C4 | N | C3 | 177.7° | 179.7° |
| C4 | C9 | C8 | H3 | 179.0° | 179.7° |
| C9 | C4 | N | H5 | 2.3° | 0.4° |
| C4 | C5 | C2 | C | 173.1° | 180.0° |
| C4 | C5 | C2 | C3 | 1.1° | 0.0° |
| C5 | C4 | N | C3 | 0.5° | 0.0° |
| C4 | C5 | C6 | H1 | 178.7° | 180.0° |
| C5 | C4 | C9 | H4 | 179.6° | 180.0° |
| C5 | C4 | N | H5 | 179.5° | 180.0° |
| C5 | C2 | C | O1 | 5.9° | 180.0° |
| C2 | C5 | C4 | N | 1.0° | 0.0° |
| C5 | C2 | C | C3 | 173.2° | 179.9° |
| C5 | C2 | C | O | 171.8° | 0.0° |
| C5 | C2 | C3 | N | 0.8° | 0.0° |
| C2 | C5 | C6 | H1 | 3.6° | 0.0° |
| C5 | C2 | C3 | H9 | 179.3° | 180.0° |
| C1 | O1 | C | C2 | 174.7° | 180.0° |
| C1 | O1 | C | O | 3.1° | 0.0° |
| O1 | C1 | H6 | H7 | 120.0° | 120.0° |
| O1 | C1 | H6 | H8 | 120.0° | 120.0° |
| O1 | C1 | H7 | H8 | 120.0° | 120.0° |
| O1 | C | C2 | O | 177.7° | 180.0° |
| O1 | C | C2 | C3 | 179.1° | 0.1° |
| C | O1 | C1 | H6 | 180.0° | 180.0° |
| C | O1 | C1 | H7 | 60.0° | 60.0° |
| C | O1 | C1 | H8 | 60.0° | 60.0° |
| C4 | N | C3 | C2 | 0.2° | 0.0° |
| C4 | N | C3 | H5 | 180.0° | 179.9° |
| N | C4 | C9 | H4 | 2.3° | 0.3° |
| C4 | N | C3 | H9 | 179.9° | 180.0° |
| C | C2 | C3 | N | 173.8° | 180.0° |
| C | C2 | C3 | H9 | 6.2° | 0.1° |
| C3 | C2 | C | O | 1.3° | 179.9° |
| C2 | C3 | N | H9 | 180.0° | 180.0° |
| C2 | C3 | N | H5 | 179.8° | 180.0° |
| H1 | C6 | C7 | H2 | 0.6° | 0.2° |
| H2 | C7 | C8 | H3 | 0.6° | 0.2° |
| H3 | C8 | C9 | H4 | 1.0° | 0.2° |
| H5 | N | C3 | H9 | 0.1° | 0.1° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
