A2Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.40Å | |
| C1 | C6 | sing | 1.47Å | 1.39Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.50Å | 1.39Å | |
| C5 | C6 | doub | 1.33Å | 1.39Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.8° | 117.7° |
| C2 | C1 | O1 | 119.6° | 121.2° |
| C1 | C2 | C3 | 114.6° | 107.3° |
| C1 | C2 | H21C | 108.2° | 109.9° |
| C1 | C2 | H22C | 108.2° | 109.9° |
| C6 | C1 | O1 | 118.6° | 121.1° |
| C1 | C6 | C5 | 121.6° | 120.6° |
| C1 | C6 | H6 | 119.2° | 119.7° |
| C2 | C3 | C4 | 114.4° | 109.0° |
| C3 | C2 | H21C | 108.2° | 109.9° |
| C3 | C2 | H22C | 108.2° | 109.9° |
| C2 | C3 | H31C | 108.2° | 109.5° |
| C2 | C3 | H32C | 108.3° | 109.6° |
| C3 | C4 | C5 | 113.7° | 111.2° |
| C4 | C3 | H31C | 108.2° | 109.6° |
| C4 | C3 | H32C | 108.2° | 109.5° |
| C3 | C4 | H41C | 108.4° | 109.1° |
| C3 | C4 | H42C | 108.4° | 109.2° |
| C4 | C5 | C6 | 123.0° | 123.2° |
| C5 | C4 | H41C | 108.4° | 109.1° |
| C5 | C4 | H42C | 108.4° | 109.1° |
| C4 | C5 | H5 | 118.5° | 118.4° |
| C5 | C6 | H6 | 119.2° | 119.7° |
| C6 | C5 | H5 | 118.5° | 118.4° |
| H21C | C2 | H22C | 109.5° | 109.9° |
| H31C | C3 | H32C | 109.5° | 109.7° |
| H41C | C4 | H42C | 109.4° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 177.5° | 179.8° |
| C1 | C2 | C3 | H21C | 120.7° | 119.5° |
| C1 | C2 | C3 | H22C | 120.8° | 119.5° |
| C1 | C2 | C3 | C4 | 35.9° | 62.0° |
| C2 | C1 | C6 | C5 | 3.3° | 11.4° |
| C1 | C2 | H21C | H22C | 117.6° | 121.1° |
| C2 | C1 | C6 | H6 | 176.7° | 168.5° |
| C1 | C2 | C3 | H31C | 84.8° | 57.9° |
| C1 | C2 | C3 | H32C | 156.6° | 178.2° |
| C6 | C1 | C2 | C3 | 19.9° | 41.9° |
| C1 | C6 | C5 | C4 | 3.8° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C2 | H21C | 140.6° | 161.4° |
| C6 | C1 | C2 | H22C | 100.9° | 77.6° |
| C1 | C6 | C5 | H5 | 176.2° | 179.6° |
| O1 | C1 | C2 | C3 | 162.7° | 138.3° |
| O1 | C1 | C6 | C5 | 179.3° | 168.8° |
| O1 | C1 | C2 | H21C | 41.9° | 18.8° |
| O1 | C1 | C2 | H22C | 76.5° | 102.2° |
| O1 | C1 | C6 | H6 | 0.8° | 11.2° |
| C2 | C3 | C4 | H31C | 120.7° | 119.8° |
| C2 | C3 | C4 | H32C | 120.7° | 119.9° |
| C2 | C3 | C4 | C5 | 36.0° | 52.8° |
| C3 | C2 | H21C | H22C | 117.7° | 121.0° |
| C2 | C3 | H31C | H32C | 117.8° | 120.2° |
| C2 | C3 | C4 | H41C | 156.6° | 173.2° |
| C2 | C3 | C4 | H42C | 84.7° | 67.7° |
| C3 | C4 | C5 | H41C | 120.7° | 120.4° |
| C3 | C4 | C5 | H42C | 120.6° | 120.5° |
| C3 | C4 | C5 | C6 | 20.7° | 22.0° |
| C4 | C3 | C2 | H21C | 156.6° | 178.5° |
| C4 | C3 | C2 | H22C | 84.9° | 57.5° |
| C4 | C3 | H31C | H32C | 117.7° | 120.3° |
| C3 | C4 | H41C | H42C | 118.1° | 119.2° |
| C3 | C4 | C5 | H5 | 159.2° | 158.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 176.2° | 179.5° |
| C5 | C4 | C3 | H31C | 84.7° | 67.1° |
| C5 | C4 | C3 | H32C | 156.7° | 172.6° |
| C5 | C4 | H41C | H42C | 118.1° | 119.1° |
| C6 | C5 | C4 | H41C | 141.4° | 142.4° |
| C6 | C5 | C4 | H42C | 99.9° | 98.5° |
| H21C | C2 | C3 | H31C | 35.9° | 61.6° |
| H21C | C2 | C3 | H32C | 82.6° | 58.7° |
| H22C | C2 | C3 | H31C | 154.4° | 177.4° |
| H22C | C2 | C3 | H32C | 35.9° | 62.3° |
| H6 | C6 | C5 | H5 | 3.8° | 0.5° |
| H31C | C3 | C4 | H41C | 35.9° | 53.3° |
| H31C | C3 | C4 | H42C | 154.6° | 172.5° |
| H32C | C3 | C4 | H41C | 82.6° | 67.0° |
| H32C | C3 | C4 | H42C | 36.1° | 52.2° |
| H41C | C4 | C5 | H5 | 38.6° | 37.6° |
| H42C | C4 | C5 | H5 | 80.1° | 81.5° |
