OOG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.51Å | 1.54Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.51Å | 1.53Å | |
C6 | O4 | sing | 1.35Å | 1.26Å | |
C6 | O3 | doub | 1.21Å | 1.26Å | |
C6 | C5 | sing | 1.49Å | 1.53Å | |
C5 | O5 | doub | 1.21Å | 1.32Å | |
C1 | O1 | doub | 1.21Å | 1.26Å | |
C1 | O2 | sing | 1.34Å | 1.27Å | |
C2 | H21C | sing | 1.09Å | 1.10Å | |
C2 | H22C | sing | 1.09Å | 1.10Å | |
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 | |
O4 | H4 | sing | 0.97Å | 0.95Å | |
O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | C1 | 118.6° | 109.5° |
C2 | C3 | C4 | 110.0° | 109.5° |
C3 | C2 | H21C | 107.2° | 109.5° |
C3 | C2 | H22C | 107.1° | 109.5° |
C2 | C3 | H31C | 109.3° | 109.5° |
C2 | C3 | H32C | 109.3° | 109.5° |
C2 | C1 | O1 | 118.4° | 120.0° |
C2 | C1 | O2 | 124.2° | 120.0° |
C1 | C2 | H21C | 107.1° | 109.5° |
C1 | C2 | H22C | 107.1° | 109.5° |
C3 | C4 | C5 | 115.5° | 109.4° |
C4 | C3 | H31C | 109.4° | 109.5° |
C4 | C3 | H32C | 109.3° | 109.5° |
C3 | C4 | H41C | 108.0° | 109.5° |
C3 | C4 | H42C | 108.0° | 109.5° |
C4 | C5 | C6 | 118.5° | 120.0° |
C4 | C5 | O5 | 123.5° | 120.0° |
C5 | C4 | H41C | 107.9° | 109.5° |
C5 | C4 | H42C | 108.0° | 109.5° |
O4 | C6 | O3 | 117.9° | 120.0° |
O4 | C6 | C5 | 121.0° | 120.0° |
C6 | O4 | H4 | 109.5° | 117.0° |
O3 | C6 | C5 | 121.1° | 120.0° |
C6 | C5 | O5 | 105.4° | 120.0° |
O1 | C1 | O2 | 117.4° | 120.0° |
C1 | O2 | H2 | 109.5° | 117.0° |
H21C | C2 | H22C | 109.4° | 109.4° |
H31C | C3 | H32C | 109.5° | 109.5° |
H41C | C4 | H42C | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | C1 | H21C | 121.3° | 120.0° |
C3 | C2 | C1 | H22C | 121.3° | 120.0° |
C2 | C3 | C4 | H31C | 120.1° | 120.0° |
C2 | C3 | C4 | H32C | 120.1° | 120.0° |
C2 | C3 | C4 | C5 | 159.8° | 180.0° |
C3 | C2 | C1 | O1 | 150.2° | 0.0° |
C3 | C2 | C1 | O2 | 31.5° | 180.0° |
C3 | C2 | H21C | H22C | 115.8° | 120.0° |
C2 | C3 | H31C | H32C | 119.8° | 120.0° |
C2 | C3 | C4 | H41C | 79.4° | 60.0° |
C2 | C3 | C4 | H42C | 38.9° | 60.0° |
C1 | C2 | C3 | C4 | 165.0° | 180.0° |
C2 | C1 | O1 | O2 | 178.4° | 180.0° |
C1 | C2 | H21C | H22C | 115.8° | 120.0° |
C1 | C2 | C3 | H31C | 75.0° | 60.0° |
C1 | C2 | C3 | H32C | 44.9° | 60.0° |
C2 | C1 | O2 | H2 | 178.3° | 180.0° |
C3 | C4 | C5 | H41C | 120.9° | 120.0° |
C3 | C4 | C5 | H42C | 120.9° | 120.0° |
C3 | C4 | C5 | C6 | 102.7° | 180.0° |
C3 | C4 | C5 | O5 | 121.2° | 0.0° |
C4 | C3 | C2 | H21C | 73.7° | 60.0° |
C4 | C3 | C2 | H22C | 43.7° | 60.0° |
C4 | C3 | H31C | H32C | 119.8° | 120.0° |
C3 | C4 | H41C | H42C | 117.3° | 120.0° |
C4 | C5 | C6 | O4 | 37.4° | 180.0° |
C4 | C5 | C6 | O3 | 142.9° | 0.0° |
C4 | C5 | C6 | O5 | 143.1° | 180.0° |
C5 | C4 | C3 | H31C | 39.7° | 60.0° |
C5 | C4 | C3 | H32C | 80.2° | 60.0° |
C5 | C4 | H41C | H42C | 117.3° | 120.0° |
O4 | C6 | O3 | C5 | 179.7° | 180.0° |
O4 | C6 | C5 | O5 | 179.5° | 0.0° |
O3 | C6 | C5 | O5 | 0.2° | 180.0° |
O3 | C6 | O4 | H4 | 0.0° | 0.0° |
C6 | C5 | C4 | H41C | 136.4° | 60.0° |
C6 | C5 | C4 | H42C | 18.2° | 60.0° |
C5 | C6 | O4 | H4 | 179.7° | 180.0° |
O5 | C5 | C4 | H41C | 0.3° | 120.0° |
O5 | C5 | C4 | H42C | 117.9° | 120.0° |
O1 | C1 | C2 | H21C | 28.9° | 120.0° |
O1 | C1 | C2 | H22C | 88.5° | 120.0° |
O1 | C1 | O2 | H2 | 0.0° | 0.0° |
O2 | C1 | C2 | H21C | 152.8° | 60.0° |
O2 | C1 | C2 | H22C | 89.8° | 60.0° |
H21C | C2 | C3 | H31C | 46.4° | 60.0° |
H21C | C2 | C3 | H32C | 166.2° | 180.0° |
H22C | C2 | C3 | H31C | 163.7° | 180.0° |
H22C | C2 | C3 | H32C | 76.4° | 60.0° |
H31C | C3 | C4 | H41C | 160.5° | 180.0° |
H31C | C3 | C4 | H42C | 81.2° | 60.0° |
H32C | C3 | C4 | H41C | 40.7° | 60.0° |
H32C | C3 | C4 | H42C | 158.9° | 180.0° |