Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
C1 | H13 | sing | 1.09Å | 1.12Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | H11 | 110.2° | 109.4° |
C2 | C1 | H12 | 111.9° | 109.5° |
C2 | C1 | H13 | 112.0° | 109.5° |
C1 | C2 | O2 | 110.2° | 109.6° |
C1 | C2 | C3 | 110.6° | 109.5° |
C1 | C2 | H2 | 108.2° | 109.4° |
H11 | C1 | H12 | 111.9° | 109.4° |
H11 | C1 | H13 | 112.0° | 109.4° |
H12 | C1 | H13 | 98.4° | 109.5° |
O2 | C2 | C3 | 109.4° | 109.5° |
O2 | C2 | H2 | 109.4° | 109.4° |
C2 | O2 | HO2 | 110.2° | 106.7° |
C3 | C2 | H2 | 109.0° | 109.4° |
C2 | C3 | O3 | 108.4° | 109.5° |
C2 | C3 | H31 | 112.6° | 109.4° |
C2 | C3 | H32 | 112.6° | 109.5° |
O3 | C3 | H31 | 112.6° | 109.4° |
O3 | C3 | H32 | 112.6° | 109.5° |
C3 | O3 | HO3 | 108.4° | 106.9° |
H31 | C3 | H32 | 97.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | H11 | H12 | 125.2° | 120.0° |
C2 | C1 | H11 | H13 | 125.4° | 120.0° |
C2 | C1 | H12 | H13 | 117.9° | 120.1° |
C1 | C2 | O2 | C3 | 121.9° | 120.1° |
C1 | C2 | O2 | H2 | 118.8° | 119.9° |
C1 | C2 | C3 | H2 | 118.8° | 119.9° |
C1 | C2 | O2 | HO2 | 179.9° | 60.0° |
C1 | C2 | C3 | O3 | 50.6° | 180.0° |
C1 | C2 | C3 | H31 | 175.9° | 60.1° |
C1 | C2 | C3 | H32 | 74.6° | 59.9° |
H11 | C1 | H12 | H13 | 117.8° | 119.9° |
H11 | C1 | C2 | O2 | 179.9° | 60.0° |
H11 | C1 | C2 | C3 | 58.8° | 60.1° |
H11 | C1 | C2 | H2 | 60.5° | 180.0° |
H12 | C1 | C2 | O2 | 54.7° | 59.9° |
H12 | C1 | C2 | C3 | 66.4° | 180.0° |
H12 | C1 | C2 | H2 | 174.3° | 60.1° |
H13 | C1 | C2 | O2 | 54.7° | 180.0° |
H13 | C1 | C2 | C3 | 175.8° | 59.9° |
H13 | C1 | C2 | H2 | 64.8° | 60.1° |
O2 | C2 | C3 | H2 | 119.6° | 119.9° |
O2 | C2 | C3 | O3 | 172.2° | 59.9° |
O2 | C2 | C3 | H31 | 62.5° | 60.1° |
O2 | C2 | C3 | H32 | 47.0° | 180.0° |
C3 | C2 | O2 | HO2 | 58.1° | 60.1° |
C2 | C3 | O3 | H31 | 125.3° | 120.0° |
C2 | C3 | O3 | H32 | 125.2° | 120.1° |
C2 | C3 | H31 | H32 | 118.5° | 120.0° |
C2 | C3 | O3 | HO3 | 179.9° | 180.0° |
H2 | C2 | O2 | HO2 | 61.2° | 180.0° |
H2 | C2 | C3 | O3 | 68.2° | 60.0° |
H2 | C2 | C3 | H31 | 57.1° | 180.0° |
H2 | C2 | C3 | H32 | 166.5° | 60.0° |
O3 | C3 | H31 | H32 | 118.5° | 120.0° |
H31 | C3 | O3 | HO3 | 54.8° | 60.1° |
H32 | C3 | O3 | HO3 | 54.7° | 59.9° |