Z61
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.45Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.40Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.49Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.49Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.38Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C3 | 111.6° | 109.5° |
O4 | C4 | C5 | 109.9° | 109.6° |
O4 | C4 | H4 | 109.4° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C2 | C1 | O1 | 113.9° | 109.5° |
C2 | C1 | O5 | 111.6° | 109.4° |
C2 | C1 | H1 | 106.8° | 109.5° |
C1 | C2 | C3 | 113.5° | 109.1° |
C1 | C2 | H21 | 108.5° | 109.5° |
C1 | C2 | H22 | 108.5° | 109.5° |
O1 | C1 | O5 | 107.6° | 109.5° |
O1 | C1 | H1 | 108.6° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O5 | C1 | H1 | 108.1° | 109.5° |
C1 | O5 | C5 | 113.2° | 114.1° |
C3 | C2 | H21 | 108.5° | 109.5° |
C3 | C2 | H22 | 108.5° | 109.5° |
C2 | C3 | C4 | 108.5° | 109.1° |
C2 | C3 | O3 | 108.0° | 109.5° |
C2 | C3 | H3 | 110.4° | 109.5° |
H21 | C2 | H22 | 109.5° | 109.6° |
C4 | C3 | O3 | 107.1° | 109.5° |
C4 | C3 | H3 | 110.5° | 109.5° |
C3 | C4 | C5 | 108.7° | 109.1° |
C3 | C4 | H4 | 108.5° | 109.5° |
O3 | C3 | H3 | 112.1° | 109.7° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | H4 | 108.8° | 109.6° |
C4 | C5 | C6 | 107.5° | 109.5° |
C4 | C5 | O5 | 110.8° | 109.5° |
C4 | C5 | H5 | 111.0° | 109.5° |
C6 | C5 | O5 | 104.5° | 109.5° |
C6 | C5 | H5 | 111.1° | 109.5° |
C5 | C6 | O6 | 113.5° | 109.5° |
C5 | C6 | H61 | 108.4° | 109.4° |
C5 | C6 | H62 | 108.5° | 109.4° |
O5 | C5 | H5 | 111.7° | 109.5° |
O6 | C6 | H61 | 108.4° | 109.5° |
O6 | C6 | H62 | 108.4° | 109.5° |
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) |
O4 | C4 | C3 | C2 | 179.1° | 176.9° |
O4 | C4 | C3 | C5 | 121.3° | 119.9° |
O4 | C4 | C3 | H4 | 120.5° | 120.1° |
O4 | C4 | C3 | O3 | 64.4° | 63.3° |
O4 | C4 | C3 | H3 | 57.9° | 57.1° |
O4 | C4 | C5 | H4 | 119.7° | 120.2° |
O4 | C4 | C5 | C6 | 60.9° | 62.5° |
O4 | C4 | C5 | O5 | 174.6° | 177.5° |
O4 | C4 | C5 | H5 | 60.7° | 57.5° |
C2 | C1 | O1 | O5 | 124.4° | 120.0° |
C2 | C1 | O1 | H1 | 118.8° | 120.0° |
C2 | C1 | O5 | H1 | 117.2° | 120.0° |
C1 | C2 | C3 | H21 | 120.6° | 119.8° |
C1 | C2 | C3 | H22 | 120.6° | 119.9° |
C1 | C2 | H21 | H22 | 118.2° | 120.2° |
C1 | C2 | C3 | C4 | 51.2° | 57.0° |
C1 | C2 | C3 | O3 | 167.1° | 176.8° |
C1 | C2 | C3 | H3 | 70.0° | 62.9° |
C2 | C1 | O5 | C5 | 51.7° | 61.1° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
O1 | C1 | O5 | H1 | 117.1° | 120.0° |
O1 | C1 | C2 | C3 | 74.1° | 62.4° |
O1 | C1 | C2 | H21 | 46.5° | 57.5° |
O1 | C1 | C2 | H22 | 165.3° | 177.7° |
O1 | C1 | O5 | C5 | 74.0° | 58.9° |
O5 | C1 | C2 | C3 | 48.1° | 57.6° |
O5 | C1 | C2 | H21 | 168.7° | 177.5° |
O5 | C1 | C2 | H22 | 72.5° | 62.3° |
C1 | O5 | C5 | C4 | 60.7° | 61.1° |
C1 | O5 | C5 | C6 | 176.2° | 178.9° |
C1 | O5 | C5 | H5 | 63.6° | 58.9° |
O5 | C1 | O1 | HO1 | 55.7° | 60.0° |
H1 | C1 | C2 | C3 | 166.1° | 177.6° |
H1 | C1 | C2 | H21 | 73.3° | 62.5° |
H1 | C1 | C2 | H22 | 45.5° | 57.7° |
H1 | C1 | O5 | C5 | 168.9° | 178.9° |
H1 | C1 | O1 | HO1 | 61.2° | 60.0° |
C3 | C2 | H21 | H22 | 118.2° | 120.2° |
C2 | C3 | C4 | O3 | 116.4° | 119.8° |
C2 | C3 | C4 | H3 | 121.2° | 119.9° |
C2 | C3 | O3 | H3 | 121.9° | 120.2° |
C2 | C3 | C4 | C5 | 57.8° | 57.0° |
C2 | C3 | C4 | H4 | 60.3° | 63.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
H21 | C2 | C3 | C4 | 171.8° | 176.9° |
H21 | C2 | C3 | O3 | 72.4° | 63.3° |
H21 | C2 | C3 | H3 | 50.6° | 57.0° |
H22 | C2 | C3 | C4 | 69.4° | 62.9° |
H22 | C2 | C3 | O3 | 46.5° | 57.0° |
H22 | C2 | C3 | H3 | 169.4° | 177.3° |
C4 | C3 | O3 | H3 | 121.3° | 120.2° |
C3 | C4 | C5 | H4 | 117.9° | 119.9° |
C3 | C4 | C5 | C6 | 176.7° | 177.6° |
C3 | C4 | C5 | O5 | 63.0° | 57.6° |
C3 | C4 | C5 | H5 | 61.7° | 62.4° |
C4 | C3 | O3 | HO3 | 63.2° | 179.5° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 174.2° | 176.8° |
O3 | C3 | C4 | H4 | 56.1° | 56.8° |
H3 | C3 | C4 | C5 | 63.4° | 62.9° |
H3 | C3 | C4 | H4 | 178.4° | 177.1° |
H3 | C3 | O3 | HO3 | 58.1° | 60.2° |
C4 | C5 | C6 | O5 | 117.8° | 120.0° |
C4 | C5 | C6 | H5 | 121.6° | 120.0° |
C4 | C5 | O5 | H5 | 124.3° | 120.0° |
C4 | C5 | C6 | O6 | 174.1° | 175.0° |
C4 | C5 | C6 | H61 | 65.4° | 55.0° |
C4 | C5 | C6 | H62 | 53.5° | 65.0° |
C5 | C4 | O4 | HO4 | 59.3° | 179.6° |
H4 | C4 | C5 | C6 | 58.7° | 57.7° |
H4 | C4 | C5 | O5 | 54.9° | 62.3° |
H4 | C4 | C5 | H5 | 179.6° | 177.7° |
H4 | C4 | O4 | HO4 | 60.0° | 60.1° |
C6 | C5 | O5 | H5 | 120.2° | 120.0° |
C5 | C6 | O6 | H61 | 120.6° | 120.0° |
C5 | C6 | O6 | H62 | 120.6° | 120.0° |
C5 | C6 | H61 | H62 | 118.2° | 119.9° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 56.3° | 65.0° |
O5 | C5 | C6 | H61 | 176.9° | 175.0° |
O5 | C5 | C6 | H62 | 64.3° | 55.0° |
H5 | C5 | C6 | O6 | 64.3° | 55.0° |
H5 | C5 | C6 | H61 | 56.3° | 65.0° |
H5 | C5 | C6 | H62 | 175.1° | 175.0° |
O6 | C6 | H61 | H62 | 118.1° | 120.1° |
H61 | C6 | O6 | HO6 | 59.4° | 60.0° |
H62 | C6 | O6 | HO6 | 59.4° | 60.1° |