EDO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.57Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 115.8° | 109.5° |
O1 | C1 | H11 | 109.9° | 109.4° |
O1 | C1 | H12 | 109.9° | 109.5° |
C1 | O1 | HO1 | 115.8° | 106.9° |
C2 | C1 | H11 | 109.8° | 109.5° |
C2 | C1 | H12 | 109.9° | 109.5° |
C1 | C2 | O2 | 108.6° | 109.5° |
C1 | C2 | H21 | 112.5° | 109.5° |
C1 | C2 | H22 | 112.6° | 109.5° |
H11 | C1 | H12 | 100.3° | 109.4° |
O2 | C2 | H21 | 112.5° | 109.5° |
O2 | C2 | H22 | 112.5° | 109.4° |
C2 | O2 | HO2 | 108.7° | 106.9° |
H21 | C2 | H22 | 97.9° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H11 | 125.3° | 120.0° |
O1 | C1 | C2 | H12 | 125.3° | 120.1° |
O1 | C1 | H11 | H12 | 115.7° | 119.9° |
O1 | C1 | C2 | O2 | 58.2° | 60.0° |
O1 | C1 | C2 | H21 | 176.5° | 180.0° |
O1 | C1 | C2 | H22 | 67.0° | 60.0° |
C2 | C1 | H11 | H12 | 115.7° | 120.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | H21 | 125.3° | 120.1° |
C1 | C2 | O2 | H22 | 125.3° | 120.0° |
C1 | C2 | H21 | H22 | 118.5° | 120.0° |
C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
H11 | C1 | O1 | HO1 | 54.8° | 60.0° |
H11 | C1 | C2 | O2 | 67.0° | 60.0° |
H11 | C1 | C2 | H21 | 58.2° | 60.1° |
H11 | C1 | C2 | H22 | 167.8° | 180.0° |
H12 | C1 | O1 | HO1 | 54.7° | 59.9° |
H12 | C1 | C2 | O2 | 176.4° | 180.0° |
H12 | C1 | C2 | H21 | 51.2° | 59.9° |
H12 | C1 | C2 | H22 | 58.3° | 60.1° |
O2 | C2 | H21 | H22 | 118.4° | 119.9° |
H21 | C2 | O2 | HO2 | 54.7° | 59.9° |
H22 | C2 | O2 | HO2 | 54.7° | 60.0° |