2DG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O1 | sing | 1.43Å | 1.47Å | |
C1 | O5 | sing | 1.42Å | 1.47Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.43Å | 1.46Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | 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 | 112.1° | 109.4° |
C2 | C1 | O5 | 111.9° | 109.8° |
C2 | C1 | H1 | 105.6° | 109.4° |
C1 | C2 | C3 | 112.6° | 109.0° |
C1 | C2 | H2 | 111.1° | 109.6° |
C1 | C2 | H22 | 111.0° | 109.5° |
O1 | C1 | O5 | 108.3° | 109.4° |
O1 | C1 | H1 | 109.3° | 109.4° |
C1 | O1 | HO1 | 112.1° | 106.8° |
O5 | C1 | H1 | 109.6° | 109.5° |
C1 | O5 | C5 | 114.6° | 107.6° |
C3 | C2 | H2 | 111.1° | 109.5° |
C3 | C2 | H22 | 111.1° | 109.5° |
C2 | C3 | C4 | 111.7° | 108.6° |
C2 | C3 | O3 | 109.1° | 109.6° |
C2 | C3 | H3 | 109.2° | 109.6° |
H2 | C2 | H22 | 99.2° | 109.6° |
C4 | C3 | O3 | 112.3° | 109.7° |
C4 | C3 | H3 | 105.9° | 109.6° |
C3 | C4 | C5 | 108.6° | 109.0° |
C3 | C4 | O4 | 108.6° | 109.5° |
C3 | C4 | H4 | 111.1° | 109.6° |
O3 | C3 | H3 | 108.5° | 109.6° |
C3 | O3 | HO3 | 109.1° | 106.8° |
C5 | C4 | O4 | 110.9° | 109.7° |
C5 | C4 | H4 | 108.9° | 109.4° |
C4 | C5 | C6 | 108.7° | 109.4° |
C4 | C5 | O5 | 113.0° | 109.8° |
C4 | C5 | H5 | 106.2° | 109.4° |
O4 | C4 | H4 | 108.8° | 109.6° |
C4 | O4 | HO4 | 108.6° | 106.8° |
C6 | C5 | O5 | 104.7° | 109.4° |
C6 | C5 | H5 | 114.4° | 109.4° |
C5 | C6 | O6 | 109.7° | 109.5° |
C5 | C6 | H61 | 112.1° | 109.5° |
C5 | C6 | H62 | 112.1° | 109.4° |
O5 | C5 | H5 | 110.1° | 109.5° |
O6 | C6 | H61 | 112.2° | 109.6° |
O6 | C6 | H62 | 112.2° | 109.5° |
C6 | O6 | HO6 | 109.7° | 106.8° |
H61 | C6 | H62 | 98.3° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 123.9° | 120.3° |
C2 | C1 | O1 | H1 | 116.7° | 119.8° |
C2 | C1 | O5 | H1 | 116.7° | 120.1° |
C1 | C2 | C3 | H2 | 125.3° | 119.9° |
C1 | C2 | C3 | H22 | 125.3° | 119.9° |
C1 | C2 | H2 | H22 | 116.9° | 120.3° |
C1 | C2 | C3 | C4 | 52.8° | 53.7° |
C1 | C2 | C3 | O3 | 177.5° | 173.6° |
C1 | C2 | C3 | H3 | 64.0° | 66.0° |
C2 | C1 | O5 | C5 | 51.7° | 67.6° |
C2 | C1 | O1 | HO1 | 180.0° | 179.6° |
O1 | C1 | O5 | H1 | 119.2° | 119.9° |
O1 | C1 | C2 | C3 | 72.1° | 58.8° |
O1 | C1 | C2 | H2 | 53.2° | 61.0° |
O1 | C1 | C2 | H22 | 162.6° | 178.7° |
O1 | C1 | O5 | C5 | 72.3° | 52.4° |
O5 | C1 | C2 | C3 | 49.8° | 61.3° |
O5 | C1 | C2 | H2 | 175.1° | 178.9° |
O5 | C1 | C2 | H22 | 75.5° | 58.6° |
C1 | O5 | C5 | C4 | 55.3° | 67.7° |
C1 | O5 | C5 | C6 | 173.4° | 172.3° |
C1 | O5 | C5 | H5 | 63.3° | 52.5° |
O5 | C1 | O1 | HO1 | 56.1° | 60.0° |
H1 | C1 | C2 | C3 | 169.0° | 178.6° |
H1 | C1 | C2 | H2 | 65.7° | 58.8° |
H1 | C1 | C2 | H22 | 43.7° | 61.5° |
H1 | C1 | O5 | C5 | 168.5° | 172.3° |
H1 | C1 | O1 | HO1 | 63.3° | 59.9° |
C3 | C2 | H2 | H22 | 117.0° | 120.2° |
C2 | C3 | C4 | O3 | 123.0° | 119.8° |
C2 | C3 | C4 | H3 | 118.7° | 119.8° |
C2 | C3 | O3 | H3 | 118.9° | 120.4° |
C2 | C3 | C4 | C5 | 53.4° | 53.8° |
C2 | C3 | C4 | O4 | 67.2° | 66.3° |
C2 | C3 | C4 | H4 | 173.1° | 173.5° |
C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
H2 | C2 | C3 | C4 | 178.0° | 173.6° |
H2 | C2 | C3 | O3 | 57.2° | 66.5° |
H2 | C2 | C3 | H3 | 61.3° | 53.9° |
H22 | C2 | C3 | C4 | 72.5° | 66.1° |
H22 | C2 | C3 | O3 | 52.3° | 53.8° |
H22 | C2 | C3 | H3 | 170.8° | 174.1° |
C4 | C3 | O3 | H3 | 116.7° | 120.4° |
C3 | C4 | C5 | O4 | 119.2° | 119.9° |
C3 | C4 | C5 | H4 | 121.1° | 119.8° |
C3 | C4 | O4 | H4 | 121.1° | 120.2° |
C3 | C4 | C5 | C6 | 170.9° | 178.6° |
C3 | C4 | C5 | O5 | 55.1° | 61.4° |
C3 | C4 | C5 | H5 | 65.7° | 58.8° |
C4 | C3 | O3 | HO3 | 55.7° | 179.2° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 176.4° | 173.6° |
O3 | C3 | C4 | O4 | 55.8° | 53.5° |
O3 | C3 | C4 | H4 | 63.9° | 66.7° |
H3 | C3 | C4 | C5 | 65.3° | 66.0° |
H3 | C3 | C4 | O4 | 174.0° | 174.0° |
H3 | C3 | C4 | H4 | 54.4° | 53.8° |
H3 | C3 | O3 | HO3 | 61.1° | 60.3° |
C5 | C4 | O4 | H4 | 119.7° | 120.2° |
C4 | C5 | C6 | O5 | 121.0° | 120.3° |
C4 | C5 | C6 | H5 | 118.4° | 119.8° |
C4 | C5 | O5 | H5 | 118.5° | 120.1° |
C4 | C5 | C6 | O6 | 60.1° | 179.8° |
C4 | C5 | C6 | H61 | 65.2° | 60.1° |
C4 | C5 | C6 | H62 | 174.6° | 59.9° |
C5 | C4 | O4 | HO4 | 60.8° | 179.7° |
O4 | C4 | C5 | C6 | 51.6° | 61.4° |
O4 | C4 | C5 | O5 | 64.1° | 58.6° |
O4 | C4 | C5 | H5 | 175.1° | 178.8° |
H4 | C4 | C5 | C6 | 68.0° | 58.8° |
H4 | C4 | C5 | O5 | 176.2° | 178.8° |
H4 | C4 | C5 | H5 | 55.4° | 61.0° |
H4 | C4 | O4 | HO4 | 58.9° | 60.2° |
C6 | C5 | O5 | H5 | 123.3° | 119.8° |
C5 | C6 | O6 | H61 | 125.3° | 120.1° |
C5 | C6 | O6 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H62 | 118.0° | 119.9° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 178.9° | 59.9° |
O5 | C5 | C6 | H61 | 55.8° | 60.2° |
O5 | C5 | C6 | H62 | 53.6° | 179.9° |
H5 | C5 | C6 | O6 | 58.3° | 60.0° |
H5 | C5 | C6 | H61 | 176.4° | 179.9° |
H5 | C5 | C6 | H62 | 67.0° | 60.0° |
O6 | C6 | H61 | H62 | 118.1° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
H62 | C6 | O6 | HO6 | 54.7° | 60.1° |