DNO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C2 | C3 | sing | 1.53Å | 1.56Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
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 | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | 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) |
C2 | C1 | O1 | 120.5° | 120.0° |
C1 | C2 | C3 | 114.9° | 109.5° |
C1 | C2 | O2 | 110.4° | 109.5° |
C2 | C1 | H1 | 119.7° | 120.0° |
C1 | C2 | H2 | 105.8° | 109.5° |
O1 | C1 | H1 | 119.8° | 120.0° |
C3 | C2 | O2 | 111.8° | 109.5° |
C2 | C3 | C4 | 121.5° | 109.5° |
C2 | C3 | O3 | 108.2° | 109.5° |
C3 | C2 | H2 | 104.1° | 109.5° |
C2 | C3 | H3 | 100.9° | 109.5° |
O2 | C2 | H2 | 109.3° | 109.4° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 106.8° | 109.5° |
C3 | C4 | C5 | 119.5° | 109.5° |
C3 | C4 | O4 | 109.3° | 109.5° |
C4 | C3 | H3 | 102.5° | 109.5° |
C3 | C4 | H4 | 102.7° | 109.4° |
O3 | C3 | H3 | 117.4° | 109.4° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 110.8° | 109.5° |
C4 | C5 | C6 | 109.6° | 109.5° |
C4 | C5 | O5 | 113.7° | 109.5° |
C5 | C4 | H4 | 100.9° | 109.5° |
C4 | C5 | H5 | 106.0° | 109.5° |
O4 | C4 | H4 | 113.1° | 109.5° |
C4 | O4 | HO4 | 109.5° | 113.9° |
C6 | C5 | O5 | 108.0° | 109.5° |
C5 | C6 | O6 | 109.4° | 109.5° |
C6 | C5 | H5 | 111.9° | 109.4° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
O5 | C5 | H5 | 107.6° | 109.5° |
C5 | O5 | HO5 | 109.5° | 114.0° |
O6 | C6 | H61 | 109.5° | 109.5° |
O6 | C6 | H62 | 109.5° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | H1 | 180.0° | 179.8° |
C1 | C2 | C3 | O2 | 126.8° | 120.0° |
C1 | C2 | C3 | H2 | 115.2° | 120.0° |
C1 | C2 | O2 | H2 | 116.0° | 120.0° |
C1 | C2 | C3 | C4 | 55.6° | 180.0° |
C1 | C2 | C3 | O3 | 179.5° | 60.0° |
C1 | C2 | C3 | H3 | 56.6° | 60.0° |
C1 | C2 | O2 | HO2 | 93.2° | 60.0° |
O1 | C1 | C2 | C3 | 168.8° | 120.0° |
O1 | C1 | C2 | O2 | 63.6° | 0.0° |
O1 | C1 | C2 | H2 | 54.6° | 120.0° |
C3 | C2 | O2 | H2 | 114.8° | 120.0° |
C2 | C3 | C4 | O3 | 124.6° | 120.0° |
C2 | C3 | C4 | H3 | 111.4° | 120.0° |
C2 | C3 | O3 | H3 | 113.3° | 120.0° |
C2 | C3 | C4 | C5 | 38.6° | 175.0° |
C2 | C3 | C4 | O4 | 90.6° | 55.0° |
C3 | C2 | C1 | H1 | 11.1° | 60.2° |
C2 | C3 | C4 | H4 | 149.1° | 65.0° |
C3 | C2 | O2 | HO2 | 137.6° | 60.0° |
C2 | C3 | O3 | HO3 | 77.8° | 60.0° |
O2 | C2 | C3 | C4 | 71.2° | 60.0° |
O2 | C2 | C3 | O3 | 52.7° | 180.0° |
O2 | C2 | C1 | H1 | 116.4° | 179.8° |
O2 | C2 | C3 | H3 | 176.6° | 60.0° |
C4 | C3 | O3 | H3 | 114.3° | 120.0° |
C3 | C4 | C5 | O4 | 128.5° | 120.0° |
C3 | C4 | C5 | H4 | 111.5° | 120.0° |
C3 | C4 | O4 | H4 | 113.7° | 119.9° |
C3 | C4 | C5 | C6 | 151.6° | 180.0° |
C3 | C4 | C5 | O5 | 30.6° | 60.0° |
C4 | C3 | C2 | H2 | 170.9° | 60.0° |
C3 | C4 | C5 | H5 | 87.5° | 60.0° |
C4 | C3 | O3 | HO3 | 54.5° | 60.0° |
C3 | C4 | O4 | HO4 | 171.2° | 60.0° |
O3 | C3 | C4 | C5 | 86.0° | 55.0° |
O3 | C3 | C4 | O4 | 144.8° | 65.1° |
O3 | C3 | C2 | H2 | 65.2° | 60.1° |
O3 | C3 | C4 | H4 | 24.5° | 175.0° |
C5 | C4 | O4 | H4 | 112.4° | 120.0° |
C4 | C5 | C6 | O5 | 124.4° | 120.0° |
C4 | C5 | C6 | H5 | 117.3° | 120.0° |
C4 | C5 | O5 | H5 | 117.1° | 120.0° |
C4 | C5 | C6 | O6 | 96.8° | 175.0° |
C5 | C4 | C3 | H3 | 149.9° | 65.0° |
C4 | C5 | C6 | H61 | 23.2° | 55.0° |
C4 | C5 | C6 | H62 | 143.2° | 65.0° |
C5 | C4 | O4 | HO4 | 54.9° | 60.0° |
C4 | C5 | O5 | HO5 | 45.9° | 60.0° |
O4 | C4 | C5 | C6 | 79.9° | 60.0° |
O4 | C4 | C5 | O5 | 159.1° | 180.0° |
O4 | C4 | C3 | H3 | 20.8° | 175.0° |
O4 | C4 | C5 | H5 | 41.1° | 60.0° |
C6 | C5 | O5 | H5 | 121.0° | 120.0° |
C5 | C6 | O6 | H61 | 120.0° | 120.0° |
C5 | C6 | O6 | H62 | 120.0° | 120.0° |
C6 | C5 | C4 | H4 | 40.1° | 60.0° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C6 | C5 | O5 | HO5 | 167.8° | 60.0° |
C5 | C6 | O6 | HO6 | 149.8° | 180.0° |
O5 | C5 | C6 | O6 | 138.8° | 65.0° |
O5 | C5 | C4 | H4 | 80.9° | 59.9° |
O5 | C5 | C6 | H61 | 101.2° | 175.0° |
O5 | C5 | C6 | H62 | 18.8° | 55.0° |
O6 | C6 | C5 | H5 | 20.5° | 55.0° |
O6 | C6 | H61 | H62 | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 125.4° | 59.8° |
H2 | C2 | C3 | H3 | 58.7° | 180.0° |
H2 | C2 | O2 | HO2 | 22.8° | 180.0° |
H3 | C3 | C4 | H4 | 99.5° | 55.0° |
H3 | C3 | O3 | HO3 | 168.9° | 180.0° |
H4 | C4 | C5 | H5 | 161.1° | 180.0° |
H4 | C4 | O4 | HO4 | 57.5° | 180.0° |
H5 | C5 | C6 | H61 | 140.5° | 65.0° |
H5 | C5 | C6 | H62 | 99.6° | 175.0° |
H5 | C5 | O5 | HO5 | 71.2° | 180.0° |
H61 | C6 | O6 | HO6 | 90.2° | 60.0° |
H62 | C6 | O6 | HO6 | 29.7° | 60.0° |