Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.21Å | 1.24Å | |
O2 | C1 | sing | 1.34Å | 1.24Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | C2 | sing | 1.43Å | 1.43Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C3 | H33 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O2 | 123.4° | 120.0° |
O1 | C1 | C2 | 118.8° | 120.0° |
C1 | O2 | HO2 | 123.5° | 120.0° |
O2 | C1 | C2 | 117.8° | 120.1° |
C2 | O3 | HO3 | 106.4° | 106.8° |
O3 | C2 | C1 | 106.4° | 109.5° |
O3 | C2 | C3 | 110.9° | 109.5° |
O3 | C2 | H2 | 111.3° | 109.5° |
C1 | C2 | C3 | 111.6° | 109.5° |
C1 | C2 | H2 | 110.6° | 109.4° |
C3 | C2 | H2 | 106.1° | 109.5° |
C2 | C3 | H31 | 110.9° | 109.5° |
C2 | C3 | H32 | 111.7° | 109.5° |
C2 | C3 | H33 | 111.7° | 109.4° |
H31 | C3 | H32 | 111.7° | 109.5° |
H31 | C3 | H33 | 111.7° | 109.5° |
H32 | C3 | H33 | 98.7° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O2 | C2 | 179.4° | 179.9° |
O1 | C1 | O2 | HO2 | 180.0° | 0.0° |
O1 | C1 | C2 | O3 | 143.9° | 0.1° |
O1 | C1 | C2 | C3 | 22.7° | 120.1° |
O1 | C1 | C2 | H2 | 95.1° | 120.0° |
O2 | C1 | C2 | O3 | 36.7° | 180.0° |
O2 | C1 | C2 | C3 | 157.8° | 60.0° |
O2 | C1 | C2 | H2 | 84.3° | 60.0° |
HO2 | O2 | C1 | C2 | 0.6° | 179.9° |
O3 | C2 | C1 | C3 | 121.1° | 120.0° |
O3 | C2 | C1 | H2 | 121.0° | 120.1° |
O3 | C2 | C3 | H2 | 121.0° | 120.0° |
O3 | C2 | C3 | H31 | 180.0° | 60.0° |
O3 | C2 | C3 | H32 | 54.8° | 179.9° |
O3 | C2 | C3 | H33 | 54.7° | 60.0° |
HO3 | O3 | C2 | C1 | 180.0° | 59.9° |
HO3 | O3 | C2 | C3 | 58.4° | 60.1° |
HO3 | O3 | C2 | H2 | 59.4° | 179.9° |
C1 | C2 | C3 | H2 | 120.5° | 119.9° |
C1 | C2 | C3 | H31 | 61.5° | 180.0° |
C1 | C2 | C3 | H32 | 63.7° | 59.9° |
C1 | C2 | C3 | H33 | 173.1° | 60.0° |
C2 | C3 | H31 | H32 | 125.2° | 120.0° |
C2 | C3 | H31 | H33 | 125.3° | 120.0° |
C2 | C3 | H32 | H33 | 117.6° | 119.9° |
H2 | C2 | C3 | H31 | 59.0° | 60.0° |
H2 | C2 | C3 | H32 | 175.8° | 60.0° |
H2 | C2 | C3 | H33 | 66.3° | 179.9° |
H31 | C3 | H32 | H33 | 117.6° | 120.0° |