Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.42Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | C2 | sing | 1.43Å | 1.52Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | C3 | sing | 1.43Å | 1.49Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.60Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | O1 | HO1 | 103.7° | 106.9° |
O1 | C1 | C2 | 103.7° | 109.6° |
O1 | C1 | H11 | 114.4° | 109.4° |
O1 | C1 | H12 | 114.4° | 109.5° |
C2 | O2 | HO2 | 106.8° | 106.8° |
O2 | C2 | C1 | 106.8° | 109.4° |
O2 | C2 | C3 | 109.9° | 109.4° |
O2 | C2 | H21 | 111.0° | 109.4° |
C3 | O3 | HO3 | 103.9° | 106.9° |
O3 | C3 | C2 | 103.9° | 109.6° |
O3 | C3 | H31 | 114.3° | 109.4° |
O3 | C3 | H32 | 114.3° | 109.5° |
C2 | C1 | H11 | 114.3° | 109.5° |
C2 | C1 | H12 | 114.4° | 109.5° |
C1 | C2 | C3 | 109.7° | 109.6° |
C1 | C2 | H21 | 111.2° | 109.5° |
H11 | C1 | H12 | 96.1° | 109.4° |
C3 | C2 | H21 | 108.2° | 109.5° |
C2 | C3 | H31 | 114.3° | 109.5° |
C2 | C3 | H32 | 114.3° | 109.5° |
H31 | C3 | H32 | 96.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O2 | 54.8° | 59.9° |
O1 | C1 | C2 | H11 | 125.2° | 120.0° |
O1 | C1 | C2 | H12 | 125.3° | 120.1° |
O1 | C1 | H11 | H12 | 120.3° | 120.0° |
O1 | C1 | C2 | C3 | 173.9° | 180.0° |
O1 | C1 | C2 | H21 | 66.5° | 60.0° |
HO1 | O1 | C1 | C2 | 180.0° | 179.9° |
HO1 | O1 | C1 | H11 | 54.8° | 60.1° |
HO1 | O1 | C1 | H12 | 54.7° | 59.9° |
O2 | C2 | C3 | O3 | 0.2° | 59.9° |
O2 | C2 | C1 | C3 | 119.1° | 120.0° |
O2 | C2 | C1 | H21 | 121.2° | 119.9° |
O2 | C2 | C1 | H11 | 180.0° | 60.1° |
O2 | C2 | C1 | H12 | 70.5° | 180.0° |
O2 | C2 | C3 | H21 | 121.3° | 119.9° |
O2 | C2 | C3 | H31 | 125.5° | 60.1° |
O2 | C2 | C3 | H32 | 125.0° | 180.0° |
HO2 | O2 | C2 | C1 | 180.0° | 60.0° |
HO2 | O2 | C2 | C3 | 61.0° | 60.0° |
HO2 | O2 | C2 | H21 | 58.6° | 180.0° |
O3 | C3 | C2 | C1 | 117.0° | 180.0° |
O3 | C3 | C2 | H31 | 125.3° | 120.0° |
O3 | C3 | C2 | H32 | 125.2° | 120.1° |
O3 | C3 | C2 | H21 | 121.5° | 60.0° |
O3 | C3 | H31 | H32 | 120.2° | 120.0° |
HO3 | O3 | C3 | C2 | 180.0° | 179.9° |
HO3 | O3 | C3 | H31 | 54.8° | 60.1° |
HO3 | O3 | C3 | H32 | 54.7° | 59.9° |
C2 | C1 | H11 | H12 | 120.3° | 119.9° |
C1 | C2 | C3 | H21 | 121.5° | 120.0° |
C1 | C2 | C3 | H31 | 8.3° | 60.0° |
C1 | C2 | C3 | H32 | 117.8° | 60.0° |
H11 | C1 | C2 | C3 | 60.9° | 60.0° |
H11 | C1 | C2 | H21 | 58.8° | 180.0° |
H12 | C1 | C2 | C3 | 48.6° | 60.0° |
H12 | C1 | C2 | H21 | 168.3° | 60.1° |
C2 | C3 | H31 | H32 | 120.2° | 119.9° |
H21 | C2 | C3 | H31 | 113.2° | 180.0° |
H21 | C2 | C3 | H32 | 3.7° | 60.1° |