GXV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.21Å | 1.44Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
O2 | C2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
O3 | C3 | sing | 1.43Å | 1.45Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 118.2° | 120.0° |
O1 | C1 | H1 | 120.9° | 120.0° |
C1 | C2 | O2 | 102.6° | 109.5° |
C1 | C2 | C3 | 112.5° | 109.5° |
C1 | C2 | H2 | 109.4° | 109.5° |
C2 | C1 | H1 | 120.9° | 120.0° |
O2 | C2 | C3 | 112.6° | 109.5° |
O2 | C2 | H2 | 110.6° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 112.3° | 109.5° |
C2 | C3 | H31 | 108.8° | 109.5° |
C2 | C3 | H32 | 108.8° | 109.4° |
C3 | C2 | H2 | 109.1° | 109.4° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O3 | C3 | H31 | 108.8° | 109.5° |
O3 | C3 | H32 | 108.8° | 109.5° |
H31 | C3 | H32 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H1 | 180.0° | 180.0° |
O1 | C1 | C2 | O2 | 139.1° | 0.0° |
O1 | C1 | C2 | C3 | 99.7° | 120.0° |
O1 | C1 | C2 | H2 | 21.6° | 120.0° |
C1 | C2 | O2 | C3 | 121.1° | 120.0° |
C1 | C2 | O2 | H2 | 116.6° | 120.0° |
C1 | C2 | C3 | H2 | 121.5° | 120.0° |
C1 | C2 | C3 | O3 | 35.2° | 175.0° |
C1 | C2 | C3 | H31 | 85.2° | 55.0° |
C1 | C2 | C3 | H32 | 155.7° | 65.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
O2 | C2 | C3 | H2 | 123.2° | 120.0° |
O2 | C2 | C3 | O3 | 80.0° | 64.9° |
O2 | C2 | C3 | H31 | 159.6° | 175.0° |
O2 | C2 | C3 | H32 | 40.4° | 55.0° |
O2 | C2 | C1 | H1 | 40.9° | 180.0° |
C2 | C3 | O3 | H31 | 120.4° | 120.0° |
C2 | C3 | O3 | H32 | 120.4° | 119.9° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | H31 | H32 | 118.7° | 120.0° |
C3 | C2 | O2 | HO2 | 58.9° | 60.1° |
C3 | C2 | C1 | H1 | 80.2° | 60.0° |
O3 | C3 | H31 | H32 | 118.7° | 120.0° |
O3 | C3 | C2 | H2 | 156.8° | 55.0° |
HO3 | O3 | C3 | H31 | 59.6° | 60.0° |
HO3 | O3 | C3 | H32 | 59.6° | 60.0° |
H31 | C3 | C2 | H2 | 36.4° | 65.0° |
H32 | C3 | C2 | H2 | 82.8° | 175.0° |
H2 | C2 | O2 | HO2 | 63.4° | 180.0° |
H2 | C2 | C1 | H1 | 158.4° | 60.0° |