Z8H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O2 | C2 | sing | 1.43Å | 1.44Å | |
C3 | C2 | sing | 1.53Å | 1.51Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | C3 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | C5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
HO1 | O1 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 106.1° | 109.5° |
O1 | C1 | O5 | 109.6° | 109.5° |
O1 | C1 | H1 | 111.0° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C2 | C1 | O5 | 109.5° | 109.4° |
C2 | C1 | H1 | 109.6° | 109.5° |
C1 | C2 | O2 | 109.9° | 109.5° |
C1 | C2 | C3 | 108.1° | 109.2° |
C1 | C2 | H2 | 108.9° | 109.5° |
O5 | C1 | H1 | 110.9° | 109.4° |
C1 | O5 | C5 | 116.7° | 114.1° |
O2 | C2 | C3 | 111.0° | 109.6° |
O2 | C2 | H2 | 110.0° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 108.9° | 109.5° |
C2 | C3 | O3 | 109.6° | 109.5° |
C2 | C3 | C4 | 109.9° | 109.0° |
C2 | C3 | H3 | 108.7° | 109.5° |
O3 | C3 | C4 | 110.3° | 109.6° |
O3 | C3 | H3 | 109.7° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 108.5° | 109.6° |
C3 | C4 | O4 | 107.7° | 109.5° |
C3 | C4 | C5 | 116.1° | 109.1° |
C3 | C4 | H4 | 107.0° | 109.5° |
O4 | C4 | C5 | 110.9° | 109.5° |
O4 | C4 | H4 | 108.1° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | H4 | 106.8° | 109.6° |
C4 | C5 | O5 | 114.0° | 109.4° |
C4 | C5 | C6 | 114.5° | 109.5° |
C4 | C5 | H5 | 105.4° | 109.4° |
O5 | C5 | C6 | 110.2° | 109.5° |
O5 | C5 | H5 | 106.6° | 109.5° |
C6 | C5 | H5 | 105.4° | 109.5° |
C5 | C6 | O6 | 109.7° | 109.5° |
C5 | C6 | H61 | 109.4° | 109.5° |
C5 | C6 | H62 | 109.4° | 109.5° |
O6 | C6 | H61 | 109.4° | 109.5° |
O6 | C6 | H62 | 109.4° | 109.4° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 118.2° | 120.0° |
O1 | C1 | C2 | H1 | 119.9° | 120.1° |
O1 | C1 | O5 | H1 | 122.9° | 120.0° |
O1 | C1 | C2 | O2 | 47.7° | 62.4° |
O1 | C1 | C2 | C3 | 168.9° | 177.6° |
O1 | C1 | C2 | H2 | 72.9° | 57.7° |
O1 | C1 | O5 | C5 | 153.7° | 178.9° |
C2 | C1 | O5 | H1 | 121.1° | 120.0° |
C1 | C2 | O2 | C3 | 119.5° | 119.7° |
C1 | C2 | O2 | H2 | 119.9° | 120.1° |
C1 | C2 | C3 | H2 | 118.2° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 75.2° | 62.9° |
C1 | C2 | C3 | C4 | 46.2° | 57.0° |
C1 | C2 | C3 | H3 | 164.8° | 176.9° |
C2 | C1 | O5 | C5 | 37.7° | 61.1° |
C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
O5 | C1 | C2 | O2 | 165.9° | 177.6° |
O5 | C1 | C2 | C3 | 72.9° | 57.6° |
O5 | C1 | C2 | H2 | 45.3° | 62.3° |
C1 | O5 | C5 | C4 | 17.5° | 61.1° |
C1 | O5 | C5 | C6 | 112.8° | 178.9° |
C1 | O5 | C5 | H5 | 133.3° | 58.8° |
O5 | C1 | O1 | HO1 | 61.9° | 60.0° |
H1 | C1 | C2 | O2 | 72.3° | 57.6° |
H1 | C1 | C2 | C3 | 48.9° | 62.3° |
H1 | C1 | C2 | H2 | 167.1° | 177.7° |
H1 | C1 | O5 | C5 | 83.4° | 58.8° |
H1 | C1 | O1 | HO1 | 61.0° | 60.0° |
O2 | C2 | C3 | H2 | 121.3° | 120.2° |
O2 | C2 | C3 | O3 | 45.3° | 57.0° |
O2 | C2 | C3 | C4 | 166.7° | 176.9° |
O2 | C2 | C3 | H3 | 74.6° | 63.2° |
C3 | C2 | O2 | HO2 | 60.6° | 179.7° |
C2 | C3 | O3 | C4 | 121.1° | 119.6° |
C2 | C3 | O3 | H3 | 119.4° | 120.2° |
C2 | C3 | C4 | H3 | 118.8° | 119.9° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | O4 | 132.6° | 62.9° |
C2 | C3 | C4 | C5 | 7.6° | 57.0° |
C2 | C3 | C4 | H4 | 111.4° | 176.9° |
H2 | C2 | O2 | HO2 | 60.1° | 60.2° |
H2 | C2 | C3 | O3 | 166.6° | 177.2° |
H2 | C2 | C3 | C4 | 72.0° | 62.9° |
H2 | C2 | C3 | H3 | 46.7° | 57.0° |
O3 | C3 | C4 | H3 | 120.3° | 120.3° |
O3 | C3 | C4 | O4 | 106.4° | 177.2° |
O3 | C3 | C4 | C5 | 128.6° | 62.9° |
O3 | C3 | C4 | H4 | 9.6° | 57.1° |
C4 | C3 | O3 | HO3 | 58.9° | 179.6° |
C3 | C4 | O4 | C5 | 128.1° | 119.6° |
C3 | C4 | O4 | H4 | 115.2° | 120.1° |
C3 | C4 | C5 | H4 | 119.1° | 119.9° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | O5 | 42.1° | 57.6° |
C3 | C4 | C5 | C6 | 86.0° | 177.6° |
C3 | C4 | C5 | H5 | 158.6° | 62.4° |
H3 | C3 | O3 | HO3 | 60.6° | 60.2° |
H3 | C3 | C4 | O4 | 13.9° | 57.0° |
H3 | C3 | C4 | C5 | 111.2° | 176.8° |
H3 | C3 | C4 | H4 | 129.8° | 63.2° |
O4 | C4 | C5 | H4 | 117.5° | 120.2° |
O4 | C4 | C5 | O5 | 165.5° | 62.3° |
O4 | C4 | C5 | C6 | 37.3° | 57.7° |
O4 | C4 | C5 | H5 | 78.1° | 177.8° |
C5 | C4 | O4 | HO4 | 52.0° | 179.7° |
C4 | C5 | O5 | C6 | 130.3° | 120.0° |
C4 | C5 | O5 | H5 | 115.8° | 119.9° |
C4 | C5 | C6 | H5 | 115.3° | 120.0° |
C4 | C5 | C6 | O6 | 45.1° | 175.0° |
C4 | C5 | C6 | H61 | 165.1° | 65.0° |
C4 | C5 | C6 | H62 | 75.0° | 55.0° |
H4 | C4 | O4 | HO4 | 64.8° | 60.1° |
H4 | C4 | C5 | O5 | 77.0° | 177.5° |
H4 | C4 | C5 | C6 | 154.9° | 62.5° |
H4 | C4 | C5 | H5 | 39.5° | 57.5° |
O5 | C5 | C6 | H5 | 114.6° | 120.1° |
O5 | C5 | C6 | O6 | 175.2° | 65.1° |
O5 | C5 | C6 | H61 | 64.8° | 55.0° |
O5 | C5 | C6 | H62 | 55.1° | 175.0° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H62 | 119.9° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 70.2° | 55.0° |
H5 | C5 | C6 | H61 | 49.8° | 175.0° |
H5 | C5 | C6 | H62 | 169.7° | 65.0° |
O6 | C6 | H61 | H62 | 119.9° | 120.0° |
H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
H62 | C6 | O6 | HO6 | 60.0° | 60.0° |