Z3U
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | 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) |
C2 | C1 | O1 | 106.4° | 109.5° |
C2 | C1 | O5 | 113.3° | 109.4° |
C2 | C1 | H1 | 108.1° | 109.5° |
C1 | C2 | C3 | 111.2° | 109.2° |
C1 | C2 | H21 | 109.0° | 109.5° |
C1 | C2 | H22 | 109.0° | 109.5° |
O1 | C1 | O5 | 110.4° | 109.5° |
O1 | C1 | H1 | 109.4° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O5 | C1 | H1 | 109.2° | 109.5° |
C1 | O5 | C5 | 120.8° | 114.1° |
C3 | C2 | H21 | 109.0° | 109.6° |
C3 | C2 | H22 | 109.0° | 109.5° |
C2 | C3 | O3 | 109.1° | 109.5° |
C2 | C3 | C4 | 110.1° | 109.0° |
C2 | C3 | H3 | 108.6° | 109.5° |
H21 | C2 | H22 | 109.5° | 109.6° |
O3 | C3 | C4 | 110.6° | 109.6° |
O3 | C3 | H3 | 110.0° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 108.5° | 109.7° |
C3 | C4 | O4 | 110.6° | 109.5° |
C3 | C4 | H4 | 108.3° | 109.5° |
C3 | C4 | C5 | 109.1° | 109.2° |
O4 | C4 | H4 | 109.7° | 109.5° |
O4 | C4 | C5 | 110.8° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
H4 | C4 | C5 | 108.3° | 109.6° |
C4 | C5 | H5 | 108.8° | 109.5° |
C4 | C5 | C6 | 109.6° | 109.5° |
C4 | C5 | O5 | 110.2° | 109.4° |
H5 | C5 | C6 | 108.8° | 109.4° |
H5 | C5 | O5 | 110.1° | 109.5° |
C6 | C5 | O5 | 109.4° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.5° |
H61 | C6 | H62 | 109.4° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.4° |
H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 123.3° | 119.9° |
C2 | C1 | O1 | H1 | 116.5° | 120.1° |
C2 | C1 | O5 | H1 | 120.5° | 119.9° |
C1 | C2 | C3 | H21 | 120.3° | 119.9° |
C1 | C2 | C3 | H22 | 120.3° | 119.9° |
C1 | C2 | H21 | H22 | 119.2° | 120.1° |
C1 | C2 | C3 | O3 | 67.0° | 62.9° |
C1 | C2 | C3 | C4 | 54.5° | 57.0° |
C1 | C2 | C3 | H3 | 173.1° | 177.0° |
C2 | C1 | O5 | C5 | 42.5° | 61.2° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
O1 | C1 | O5 | H1 | 120.3° | 120.1° |
O1 | C1 | C2 | C3 | 165.0° | 177.6° |
O1 | C1 | C2 | H21 | 74.8° | 62.5° |
O1 | C1 | C2 | H22 | 44.7° | 57.7° |
O1 | C1 | O5 | C5 | 161.7° | 178.8° |
O5 | C1 | C2 | C3 | 43.5° | 57.6° |
O5 | C1 | C2 | H21 | 163.7° | 177.5° |
O5 | C1 | C2 | H22 | 76.8° | 62.3° |
C1 | O5 | C5 | C4 | 48.5° | 61.2° |
C1 | O5 | C5 | H5 | 71.5° | 58.9° |
C1 | O5 | C5 | C6 | 169.0° | 178.8° |
O5 | C1 | O1 | HO1 | 56.7° | 60.1° |
H1 | C1 | C2 | C3 | 77.7° | 62.4° |
H1 | C1 | C2 | H21 | 42.6° | 57.6° |
H1 | C1 | C2 | H22 | 162.1° | 177.8° |
H1 | C1 | O5 | C5 | 78.0° | 58.8° |
H1 | C1 | O1 | HO1 | 63.5° | 59.9° |
C3 | C2 | H21 | H22 | 119.2° | 120.2° |
C2 | C3 | O3 | C4 | 121.1° | 119.6° |
C2 | C3 | O3 | H3 | 119.0° | 120.1° |
C2 | C3 | C4 | H3 | 118.7° | 119.9° |
C2 | C3 | C4 | O4 | 177.0° | 176.9° |
C2 | C3 | C4 | H4 | 56.8° | 63.0° |
C2 | C3 | C4 | C5 | 60.9° | 57.0° |
C2 | C3 | O3 | HO3 | 180.0° | 59.9° |
H21 | C2 | C3 | O3 | 53.3° | 57.0° |
H21 | C2 | C3 | C4 | 174.7° | 176.9° |
H21 | C2 | C3 | H3 | 66.6° | 63.1° |
H22 | C2 | C3 | O3 | 172.8° | 177.2° |
H22 | C2 | C3 | C4 | 65.8° | 62.9° |
H22 | C2 | C3 | H3 | 52.9° | 57.1° |
O3 | C3 | C4 | H3 | 120.7° | 120.2° |
O3 | C3 | C4 | O4 | 62.4° | 57.0° |
O3 | C3 | C4 | H4 | 177.3° | 177.1° |
O3 | C3 | C4 | C5 | 59.7° | 62.9° |
C3 | C4 | O4 | H4 | 119.4° | 120.1° |
C3 | C4 | O4 | C5 | 121.1° | 119.7° |
C3 | C4 | H4 | C5 | 118.2° | 119.7° |
C3 | C4 | C5 | H5 | 65.2° | 62.4° |
C3 | C4 | C5 | C6 | 176.0° | 177.6° |
C3 | C4 | C5 | O5 | 55.6° | 57.6° |
C4 | C3 | O3 | HO3 | 58.9° | 179.5° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
H3 | C3 | C4 | O4 | 58.3° | 63.2° |
H3 | C3 | C4 | H4 | 61.9° | 56.9° |
H3 | C3 | C4 | C5 | 179.6° | 176.9° |
H3 | C3 | O3 | HO3 | 61.0° | 60.2° |
O4 | C4 | H4 | C5 | 121.0° | 120.2° |
O4 | C4 | C5 | H5 | 56.9° | 57.5° |
O4 | C4 | C5 | C6 | 62.0° | 62.5° |
O4 | C4 | C5 | O5 | 177.6° | 177.5° |
H4 | C4 | C5 | H5 | 177.2° | 177.7° |
H4 | C4 | C5 | C6 | 58.3° | 57.7° |
H4 | C4 | C5 | O5 | 62.0° | 62.3° |
H4 | C4 | O4 | HO4 | 60.6° | 60.1° |
C4 | C5 | H5 | C6 | 119.3° | 120.0° |
C4 | C5 | H5 | O5 | 120.8° | 120.0° |
C4 | C5 | C6 | O5 | 120.9° | 120.0° |
C4 | C5 | C6 | H61 | 180.0° | 60.0° |
C4 | C5 | C6 | H62 | 60.0° | 60.0° |
C4 | C5 | C6 | H63 | 60.0° | 180.0° |
C5 | C4 | O4 | HO4 | 58.9° | 179.7° |
H5 | C5 | C6 | O5 | 120.3° | 120.0° |
H5 | C5 | C6 | H61 | 61.2° | 179.9° |
H5 | C5 | C6 | H62 | 58.8° | 60.1° |
H5 | C5 | C6 | H63 | 178.8° | 60.0° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
O5 | C5 | C6 | H61 | 59.1° | 59.9° |
O5 | C5 | C6 | H62 | 179.1° | 179.9° |
O5 | C5 | C6 | H63 | 60.9° | 60.1° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |