AH2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
O5 | C5 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C1 | C2 | 111.1° | 109.4° |
C1 | O5 | C5 | 112.1° | 114.1° |
O5 | C1 | H1 | 109.0° | 109.5° |
O5 | C1 | H11 | 109.1° | 109.5° |
C1 | C2 | C3 | 109.4° | 109.2° |
C1 | C2 | O2 | 109.5° | 109.5° |
C1 | C2 | H2 | 108.9° | 109.6° |
C2 | C1 | H1 | 109.1° | 109.4° |
C2 | C1 | H11 | 109.1° | 109.5° |
O5 | C5 | C6 | 107.5° | 109.5° |
O5 | C5 | C4 | 107.3° | 109.4° |
O5 | C5 | H5 | 110.4° | 109.5° |
C3 | C2 | O2 | 110.0° | 109.5° |
C2 | C3 | C4 | 110.9° | 109.1° |
C2 | C3 | O3 | 110.0° | 109.6° |
C2 | C3 | H3 | 108.2° | 109.6° |
C3 | C2 | H2 | 108.9° | 109.5° |
O2 | C2 | H2 | 110.1° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C6 | C5 | C4 | 113.2° | 109.5° |
C5 | C6 | O6 | 111.5° | 109.5° |
C6 | C5 | H5 | 109.3° | 109.4° |
C5 | C6 | H61 | 108.9° | 109.5° |
C5 | C6 | H62 | 109.0° | 109.5° |
C5 | C4 | C3 | 109.8° | 109.2° |
C5 | C4 | O4 | 109.4° | 109.6° |
C5 | C4 | H4 | 108.6° | 109.5° |
C4 | C5 | H5 | 109.1° | 109.5° |
C4 | C3 | O3 | 110.0° | 109.5° |
C3 | C4 | O4 | 110.2° | 109.5° |
C3 | C4 | H4 | 108.7° | 109.5° |
C4 | C3 | H3 | 108.2° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O3 | C3 | H3 | 109.5° | 109.5° |
O6 | C6 | H61 | 108.9° | 109.4° |
O6 | C6 | H62 | 108.9° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
O4 | C4 | H4 | 110.0° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
H1 | C1 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C1 | C2 | H1 | 120.2° | 119.9° |
O5 | C1 | C2 | H11 | 120.3° | 120.0° |
O5 | C1 | C2 | C3 | 54.3° | 57.6° |
O5 | C1 | C2 | O2 | 66.3° | 62.3° |
C1 | O5 | C5 | C6 | 173.0° | 178.9° |
C1 | O5 | C5 | C4 | 65.0° | 61.1° |
C1 | O5 | C5 | H5 | 53.8° | 58.9° |
O5 | C1 | C2 | H2 | 173.2° | 177.6° |
O5 | C1 | H1 | H11 | 119.3° | 120.0° |
C2 | C1 | O5 | C5 | 63.4° | 61.1° |
C1 | C2 | C3 | O2 | 120.4° | 119.8° |
C1 | C2 | C3 | H2 | 118.9° | 120.1° |
C1 | C2 | O2 | H2 | 119.7° | 120.2° |
C1 | C2 | C3 | C4 | 51.2° | 56.9° |
C1 | C2 | C3 | O3 | 173.1° | 176.8° |
C1 | C2 | C3 | H3 | 67.4° | 63.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
C2 | C1 | H1 | H11 | 119.3° | 120.1° |
O5 | C5 | C6 | C4 | 118.3° | 120.0° |
O5 | C5 | C6 | H5 | 119.9° | 120.0° |
O5 | C5 | C4 | H5 | 119.6° | 120.0° |
O5 | C5 | C4 | C3 | 60.1° | 57.5° |
O5 | C5 | C6 | O6 | 62.7° | 65.0° |
O5 | C5 | C4 | O4 | 178.9° | 177.5° |
O5 | C5 | C4 | H4 | 58.7° | 62.3° |
O5 | C5 | C6 | H61 | 57.6° | 175.0° |
O5 | C5 | C6 | H62 | 177.0° | 55.0° |
C5 | O5 | C1 | H1 | 56.9° | 58.8° |
C5 | O5 | C1 | H11 | 176.4° | 178.9° |
C3 | C2 | O2 | H2 | 120.0° | 120.1° |
C2 | C3 | C4 | C5 | 55.0° | 56.9° |
C2 | C3 | C4 | O3 | 121.9° | 119.9° |
C2 | C3 | C4 | H3 | 118.5° | 120.0° |
C2 | C3 | O3 | H3 | 118.8° | 120.3° |
C2 | C3 | C4 | O4 | 175.6° | 176.9° |
C2 | C3 | O3 | HO3 | 180.0° | 60.4° |
C2 | C3 | C4 | H4 | 63.8° | 63.0° |
C3 | C2 | O2 | HO2 | 59.7° | 180.0° |
C3 | C2 | C1 | H1 | 65.9° | 62.4° |
C3 | C2 | C1 | H11 | 174.6° | 177.6° |
O2 | C2 | C3 | C4 | 69.2° | 62.9° |
O2 | C2 | C3 | O3 | 52.7° | 56.9° |
O2 | C2 | C3 | H3 | 172.3° | 177.2° |
O2 | C2 | C1 | H1 | 173.5° | 177.7° |
O2 | C2 | C1 | H11 | 54.0° | 57.7° |
C6 | C5 | C4 | H5 | 121.9° | 120.0° |
C6 | C5 | C4 | C3 | 178.5° | 177.6° |
C5 | C6 | O6 | H61 | 120.3° | 120.0° |
C5 | C6 | O6 | H62 | 120.3° | 120.0° |
C6 | C5 | C4 | O4 | 60.4° | 62.5° |
C6 | C5 | C4 | H4 | 59.7° | 57.7° |
C5 | C6 | H61 | H62 | 119.1° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
C5 | C4 | C3 | O4 | 120.6° | 120.0° |
C5 | C4 | C3 | H4 | 118.8° | 119.9° |
C5 | C4 | C3 | O3 | 176.9° | 176.8° |
C4 | C5 | C6 | O6 | 55.6° | 175.0° |
C5 | C4 | O4 | H4 | 119.3° | 120.2° |
C5 | C4 | O4 | HO4 | 180.0° | 179.9° |
C4 | C5 | C6 | H61 | 175.9° | 55.0° |
C4 | C5 | C6 | H62 | 64.7° | 65.0° |
C5 | C4 | C3 | H3 | 63.5° | 63.0° |
C4 | C3 | O3 | H3 | 118.8° | 120.1° |
C3 | C4 | O4 | H4 | 119.9° | 120.1° |
C4 | C3 | O3 | HO3 | 57.6° | 180.0° |
C3 | C4 | C5 | H5 | 59.5° | 62.5° |
C3 | C4 | O4 | HO4 | 59.2° | 60.1° |
C4 | C3 | C2 | H2 | 170.1° | 177.0° |
O3 | C3 | C4 | O4 | 62.6° | 63.2° |
O3 | C3 | C4 | H4 | 58.1° | 56.9° |
O3 | C3 | C2 | H2 | 68.0° | 63.1° |
O6 | C6 | C5 | H5 | 177.4° | 55.0° |
O6 | C6 | H61 | H62 | 119.0° | 120.0° |
O4 | C4 | C5 | H5 | 61.5° | 57.5° |
O4 | C4 | C3 | H3 | 57.0° | 56.9° |
HO3 | O3 | C3 | H3 | 61.2° | 59.9° |
H4 | C4 | C5 | H5 | 178.3° | 177.7° |
H4 | C4 | O4 | HO4 | 60.7° | 60.0° |
H4 | C4 | C3 | H3 | 177.7° | 177.0° |
H5 | C5 | C6 | H61 | 62.3° | 65.0° |
H5 | C5 | C6 | H62 | 57.1° | 175.0° |
H61 | C6 | O6 | HO6 | 59.7° | 60.1° |
H62 | C6 | O6 | HO6 | 59.6° | 59.9° |
H3 | C3 | C2 | H2 | 51.6° | 57.1° |
H2 | C2 | O2 | HO2 | 60.2° | 59.9° |
H2 | C2 | C1 | H1 | 53.0° | 57.6° |
H2 | C2 | C1 | H11 | 66.5° | 62.4° |