2HG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.27Å | |
C1 | C2 | sing | 1.51Å | 1.50Å | |
C1 | O2 | sing | 1.34Å | 1.28Å | |
C2 | C3 | sing | 1.53Å | 1.50Å | |
C2 | O3 | sing | 1.43Å | 1.37Å | |
C3 | C4 | sing | 1.53Å | 1.50Å | |
C4 | C5 | sing | 1.51Å | 1.50Å | |
O4 | C5 | doub | 1.21Å | 1.38Å | |
C5 | O5 | sing | 1.34Å | 1.38Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 118.2° | 120.0° |
O1 | C1 | O2 | 120.7° | 120.0° |
C2 | C1 | O2 | 119.5° | 120.0° |
C1 | C2 | C3 | 111.5° | 109.5° |
C1 | C2 | O3 | 108.4° | 109.5° |
C1 | C2 | H2 | 109.8° | 109.4° |
C1 | O2 | HO2 | 109.5° | 117.0° |
C3 | C2 | O3 | 112.4° | 109.5° |
C2 | C3 | C4 | 121.9° | 109.5° |
C3 | C2 | H2 | 105.7° | 109.5° |
C2 | C3 | H3 | 105.5° | 109.5° |
C2 | C3 | H3A | 105.5° | 109.5° |
O3 | C2 | H2 | 108.9° | 109.4° |
C2 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | C5 | 116.9° | 109.5° |
C4 | C3 | H3 | 105.5° | 109.5° |
C4 | C3 | H3A | 105.5° | 109.4° |
C3 | C4 | H4 | 107.1° | 109.5° |
C3 | C4 | H4A | 107.1° | 109.5° |
C4 | C5 | O4 | 115.2° | 120.0° |
C4 | C5 | O5 | 117.1° | 120.0° |
C5 | C4 | H4 | 107.1° | 109.4° |
C5 | C4 | H4A | 107.1° | 109.5° |
O4 | C5 | O5 | 112.3° | 120.0° |
C5 | O5 | HO5 | 109.5° | 117.0° |
H3 | C3 | H3A | 113.1° | 109.4° |
H4 | C4 | H4A | 111.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O2 | 165.9° | 179.7° |
O1 | C1 | C2 | C3 | 16.6° | 115.0° |
O1 | C1 | C2 | O3 | 140.8° | 5.0° |
O1 | C1 | C2 | H2 | 100.3° | 125.0° |
O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
C1 | C2 | C3 | O3 | 122.0° | 120.0° |
C1 | C2 | C3 | H2 | 119.3° | 120.0° |
C1 | C2 | O3 | H2 | 119.5° | 119.9° |
C1 | C2 | C3 | C4 | 66.2° | 175.0° |
C2 | C1 | O2 | HO2 | 165.5° | 179.7° |
C1 | C2 | C3 | H3 | 173.8° | 55.0° |
C1 | C2 | C3 | H3A | 53.8° | 65.0° |
C1 | C2 | O3 | HO3 | 180.0° | 60.0° |
O2 | C1 | C2 | C3 | 177.6° | 65.3° |
O2 | C1 | C2 | O3 | 53.3° | 174.7° |
O2 | C1 | C2 | H2 | 65.6° | 54.7° |
C3 | C2 | O3 | H2 | 116.7° | 120.0° |
C2 | C3 | C4 | H3 | 120.0° | 120.1° |
C2 | C3 | C4 | H3A | 120.0° | 120.0° |
C2 | C3 | C4 | C5 | 158.7° | 180.0° |
C2 | C3 | H3 | H3A | 114.9° | 120.0° |
C3 | C2 | O3 | HO3 | 56.2° | 60.1° |
C2 | C3 | C4 | H4 | 81.3° | 60.0° |
C2 | C3 | C4 | H4A | 38.7° | 60.0° |
O3 | C2 | C3 | C4 | 55.8° | 65.0° |
O3 | C2 | C3 | H3 | 64.2° | 175.0° |
O3 | C2 | C3 | H3A | 175.8° | 55.0° |
C3 | C4 | C5 | H4 | 120.0° | 120.0° |
C3 | C4 | C5 | H4A | 120.0° | 120.0° |
C3 | C4 | C5 | O4 | 20.3° | 0.0° |
C3 | C4 | C5 | O5 | 155.7° | 180.0° |
C4 | C3 | C2 | H2 | 174.4° | 55.0° |
C4 | C3 | H3 | H3A | 114.8° | 119.9° |
C3 | C4 | H4 | H4A | 117.0° | 120.0° |
C4 | C5 | O4 | O5 | 137.5° | 180.0° |
C5 | C4 | C3 | H3 | 38.7° | 60.0° |
C5 | C4 | C3 | H3A | 81.3° | 60.0° |
C5 | C4 | H4 | H4A | 116.9° | 120.0° |
C4 | C5 | O5 | HO5 | 136.6° | 180.0° |
O4 | C5 | C4 | H4 | 99.7° | 120.0° |
O4 | C5 | C4 | H4A | 140.3° | 120.0° |
O4 | C5 | O5 | HO5 | 0.0° | 0.0° |
O5 | C5 | C4 | H4 | 35.7° | 60.0° |
O5 | C5 | C4 | H4A | 84.3° | 60.0° |
H2 | C2 | C3 | H3 | 54.4° | 65.0° |
H2 | C2 | C3 | H3A | 65.5° | 175.0° |
H2 | C2 | O3 | HO3 | 60.5° | 179.9° |
H3 | C3 | C4 | H4 | 158.7° | 179.9° |
H3 | C3 | C4 | H4A | 81.3° | 60.0° |
H3A | C3 | C4 | H4 | 38.7° | 60.0° |
H3A | C3 | C4 | H4A | 158.7° | 180.0° |