66O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.46Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
O3 | C3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
O5 | C5 | sing | 1.43Å | 1.46Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C1 | O1 | sing | 1.43Å | 1.46Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C1 | 114.8° | 109.5° |
O2 | C2 | C3 | 113.2° | 109.5° |
O2 | C2 | H2 | 110.6° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C1 | O5 | 107.3° | 109.4° |
C1 | C2 | C3 | 99.1° | 109.1° |
C2 | C1 | O1 | 112.1° | 109.5° |
C2 | C1 | H1 | 108.4° | 109.5° |
C1 | C2 | H2 | 109.2° | 109.6° |
C1 | O5 | C5 | 118.2° | 114.1° |
O5 | C1 | O1 | 110.4° | 109.5° |
O5 | C1 | H1 | 109.3° | 109.5° |
C2 | C3 | O3 | 122.8° | 109.6° |
C2 | C3 | C4 | 116.7° | 109.1° |
C3 | C2 | H2 | 109.5° | 109.5° |
C2 | C3 | H3 | 91.7° | 109.5° |
O3 | C3 | C4 | 120.2° | 109.6° |
O3 | C3 | H3 | 91.7° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.1° |
C3 | C4 | C5 | 103.1° | 109.1° |
C3 | C4 | O4 | 112.0° | 109.5° |
C4 | C3 | H3 | 91.7° | 109.5° |
C3 | C4 | H4 | 109.7° | 109.5° |
O5 | C5 | C4 | 108.0° | 109.4° |
O5 | C5 | C6 | 113.2° | 109.5° |
O5 | C5 | H5 | 108.1° | 109.5° |
C4 | C5 | C6 | 112.9° | 109.4° |
C5 | C4 | O4 | 111.3° | 109.5° |
C5 | C4 | H4 | 109.5° | 109.6° |
C4 | C5 | H5 | 107.2° | 109.5° |
C6 | C5 | H5 | 107.2° | 109.4° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.4° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.5° |
O4 | C4 | H4 | 111.0° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O1 | C1 | H1 | 109.2° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.4° | 109.4° |
H62 | C6 | H63 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C1 | C3 | 120.8° | 119.9° |
O2 | C2 | C1 | H2 | 124.8° | 120.2° |
O2 | C2 | C1 | O5 | 178.6° | 177.5° |
O2 | C2 | C3 | H2 | 123.8° | 120.2° |
O2 | C2 | C3 | O3 | 18.2° | 57.0° |
O2 | C2 | C3 | C4 | 167.7° | 176.9° |
O2 | C2 | C1 | O1 | 60.0° | 57.5° |
O2 | C2 | C1 | H1 | 60.6° | 62.5° |
O2 | C2 | C3 | H3 | 75.0° | 63.3° |
C2 | C1 | O5 | O1 | 122.5° | 120.0° |
C2 | C1 | O5 | H1 | 117.4° | 120.0° |
C1 | C2 | C3 | H2 | 114.2° | 120.0° |
C1 | C2 | C3 | O3 | 103.9° | 62.9° |
C1 | C2 | C3 | C4 | 70.3° | 57.1° |
C2 | C1 | O5 | C5 | 64.0° | 61.2° |
C2 | C1 | O1 | H1 | 120.2° | 120.1° |
C1 | C2 | C3 | H3 | 163.0° | 176.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
O5 | C1 | C2 | C3 | 60.6° | 57.6° |
C1 | O5 | C5 | C4 | 58.0° | 61.2° |
C1 | O5 | C5 | C6 | 176.4° | 178.9° |
O5 | C1 | O1 | H1 | 120.2° | 120.0° |
O5 | C1 | C2 | H2 | 53.8° | 62.3° |
C1 | O5 | C5 | H5 | 57.8° | 58.9° |
O5 | C1 | O1 | HO1 | 60.4° | 60.1° |
C2 | C3 | O3 | C4 | 174.0° | 119.6° |
C2 | C3 | O3 | H3 | 93.1° | 120.1° |
C2 | C3 | C4 | H3 | 92.7° | 119.8° |
C2 | C3 | C4 | C5 | 66.5° | 57.0° |
C2 | C3 | C4 | O4 | 53.3° | 62.9° |
C3 | C2 | C1 | O1 | 60.8° | 62.3° |
C3 | C2 | C1 | H1 | 178.5° | 177.6° |
C2 | C3 | C4 | H4 | 177.0° | 177.0° |
C3 | C2 | O2 | HO2 | 67.2° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O3 | C3 | C4 | H3 | 93.0° | 120.3° |
O3 | C3 | C4 | C5 | 107.9° | 62.9° |
O3 | C3 | C4 | O4 | 132.4° | 177.2° |
O3 | C3 | C2 | H2 | 142.0° | 177.2° |
O3 | C3 | C4 | H4 | 8.7° | 57.0° |
C3 | C4 | C5 | O5 | 51.3° | 57.6° |
C3 | C4 | C5 | O4 | 120.2° | 119.9° |
C3 | C4 | C5 | H4 | 116.8° | 119.9° |
C3 | C4 | C5 | C6 | 177.1° | 177.6° |
C3 | C4 | O4 | H4 | 123.0° | 120.2° |
C4 | C3 | C2 | H2 | 43.9° | 62.9° |
C3 | C4 | C5 | H5 | 65.1° | 62.4° |
C4 | C3 | O3 | HO3 | 6.1° | 179.6° |
C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
O5 | C5 | C4 | C6 | 125.9° | 120.0° |
O5 | C5 | C4 | H5 | 116.3° | 120.0° |
O5 | C5 | C6 | H5 | 119.1° | 120.0° |
O5 | C5 | C4 | O4 | 68.9° | 62.2° |
C5 | O5 | C1 | O1 | 58.5° | 58.8° |
C5 | O5 | C1 | H1 | 178.6° | 178.9° |
O5 | C5 | C4 | H4 | 168.0° | 177.5° |
O5 | C5 | C6 | H61 | 180.0° | 179.9° |
O5 | C5 | C6 | H62 | 60.0° | 60.0° |
O5 | C5 | C6 | H63 | 60.0° | 59.9° |
C4 | C5 | C6 | H5 | 117.8° | 120.0° |
C5 | C4 | O4 | H4 | 122.2° | 120.2° |
C5 | C4 | C3 | H3 | 159.2° | 176.8° |
C4 | C5 | C6 | H61 | 57.0° | 60.0° |
C4 | C5 | C6 | H62 | 177.0° | 180.0° |
C4 | C5 | C6 | H63 | 63.0° | 60.0° |
C5 | C4 | O4 | HO4 | 65.2° | 60.3° |
C6 | C5 | C4 | O4 | 56.9° | 57.7° |
C6 | C5 | C4 | H4 | 66.1° | 62.5° |
C5 | C6 | H61 | H62 | 120.0° | 120.1° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
O4 | C4 | C3 | H3 | 39.4° | 56.9° |
O4 | C4 | C5 | H5 | 174.7° | 177.7° |
O1 | C1 | C2 | H2 | 175.2° | 177.7° |
H1 | C1 | C2 | H2 | 64.2° | 57.6° |
H1 | C1 | O1 | HO1 | 59.8° | 59.9° |
H2 | C2 | C3 | H3 | 48.8° | 56.9° |
H2 | C2 | O2 | HO2 | 55.9° | 60.2° |
H3 | C3 | C4 | H4 | 84.2° | 63.2° |
H3 | C3 | O3 | HO3 | 86.9° | 60.1° |
H4 | C4 | C5 | H5 | 51.7° | 57.5° |
H4 | C4 | O4 | HO4 | 57.0° | 59.9° |
H5 | C5 | C6 | H61 | 60.9° | 60.1° |
H5 | C5 | C6 | H62 | 59.2° | 60.0° |
H5 | C5 | C6 | H63 | 179.1° | 180.0° |
H61 | C6 | H62 | H63 | 120.0° | 119.9° |