Z5J
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.46Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | C3 | sing | 1.53Å | 1.56Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
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 | |
O5 | C1 | sing | 1.43Å | 1.16Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | C2 | sing | 1.53Å | 1.51Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | C1 | sing | 1.53Å | 1.51Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
HO1 | O1 | 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 | C5 | 111.4° | 109.5° |
O4 | C4 | C3 | 104.7° | 109.5° |
O4 | C4 | H4 | 110.4° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | C3 | 112.6° | 109.2° |
C5 | C4 | H4 | 108.9° | 109.5° |
C4 | C5 | C6 | 114.2° | 109.5° |
C4 | C5 | O5 | 103.2° | 109.4° |
C4 | C5 | H5 | 107.1° | 109.5° |
C3 | C4 | H4 | 108.9° | 109.5° |
C4 | C3 | O3 | 113.5° | 109.6° |
C4 | C3 | C2 | 113.7° | 109.1° |
C4 | C3 | H3 | 108.1° | 109.6° |
C6 | C5 | O5 | 115.9° | 109.5° |
C6 | C5 | H5 | 107.4° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.5° |
O5 | C5 | H5 | 108.7° | 109.5° |
C5 | O5 | C1 | 124.5° | 114.1° |
H61 | C6 | H62 | 109.5° | 109.4° |
H61 | C6 | H63 | 109.5° | 109.5° |
H62 | C6 | H63 | 109.5° | 109.5° |
O5 | C1 | C2 | 114.7° | 109.4° |
O5 | C1 | O1 | 121.0° | 109.5° |
O5 | C1 | H1 | 92.5° | 109.4° |
O3 | C3 | C2 | 102.9° | 109.5° |
O3 | C3 | H3 | 109.7° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C2 | C3 | H3 | 108.7° | 109.6° |
C3 | C2 | C1 | 109.4° | 109.2° |
C3 | C2 | H21 | 109.5° | 109.6° |
C3 | C2 | H22 | 109.5° | 109.5° |
C1 | C2 | H21 | 109.5° | 109.5° |
C1 | C2 | H22 | 109.5° | 109.5° |
C2 | C1 | O1 | 123.9° | 109.5° |
C2 | C1 | H1 | 91.9° | 109.5° |
H21 | C2 | H22 | 109.5° | 109.6° |
O1 | C1 | H1 | 92.0° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C5 | C3 | 117.2° | 119.9° |
O4 | C4 | C5 | H4 | 121.9° | 120.2° |
O4 | C4 | C3 | H4 | 118.0° | 120.2° |
O4 | C4 | C5 | C6 | 72.2° | 62.5° |
O4 | C4 | C5 | O5 | 161.2° | 177.5° |
O4 | C4 | C5 | H5 | 46.7° | 57.5° |
O4 | C4 | C3 | O3 | 79.6° | 63.2° |
O4 | C4 | C3 | C2 | 163.1° | 176.9° |
O4 | C4 | C3 | H3 | 42.4° | 57.0° |
C5 | C4 | C3 | H4 | 120.9° | 119.9° |
C4 | C5 | C6 | O5 | 119.7° | 120.0° |
C4 | C5 | C6 | H5 | 118.6° | 120.0° |
C4 | C5 | O5 | H5 | 113.4° | 119.9° |
C4 | C5 | C6 | H61 | 180.0° | 60.0° |
C4 | C5 | C6 | H62 | 60.0° | 180.0° |
C4 | C5 | C6 | H63 | 60.0° | 60.0° |
C4 | C5 | O5 | C1 | 62.0° | 61.1° |
C5 | C4 | C3 | O3 | 159.3° | 176.8° |
C5 | C4 | C3 | C2 | 42.0° | 57.0° |
C5 | C4 | C3 | H3 | 78.7° | 63.0° |
C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 170.6° | 177.6° |
C3 | C4 | C5 | O5 | 44.0° | 57.6° |
C3 | C4 | C5 | H5 | 70.5° | 62.4° |
C4 | C3 | O3 | C2 | 123.4° | 119.6° |
C4 | C3 | O3 | H3 | 121.1° | 120.2° |
C4 | C3 | C2 | H3 | 120.4° | 119.9° |
C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
C4 | C3 | C2 | C1 | 38.1° | 57.0° |
C4 | C3 | C2 | H21 | 158.1° | 176.8° |
C4 | C3 | C2 | H22 | 81.8° | 62.9° |
C3 | C4 | O4 | HO4 | 58.1° | 60.3° |
H4 | C4 | C5 | C6 | 49.7° | 57.7° |
H4 | C4 | C5 | O5 | 76.9° | 62.4° |
H4 | C4 | C5 | H5 | 168.6° | 177.7° |
H4 | C4 | C3 | O3 | 38.4° | 57.0° |
H4 | C4 | C3 | C2 | 78.9° | 62.9° |
H4 | C4 | C3 | H3 | 160.4° | 177.2° |
H4 | C4 | O4 | HO4 | 58.9° | 59.8° |
C6 | C5 | O5 | H5 | 121.0° | 120.1° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
C6 | C5 | O5 | C1 | 172.4° | 178.9° |
O5 | C5 | C6 | H61 | 60.3° | 180.0° |
O5 | C5 | C6 | H62 | 59.7° | 60.1° |
O5 | C5 | C6 | H63 | 179.7° | 60.0° |
C5 | O5 | C1 | C2 | 65.4° | 61.1° |
C5 | O5 | C1 | O1 | 121.7° | 178.9° |
C5 | O5 | C1 | H1 | 27.9° | 58.8° |
H5 | C5 | C6 | H61 | 61.4° | 60.0° |
H5 | C5 | C6 | H62 | 178.6° | 60.0° |
H5 | C5 | C6 | H63 | 58.6° | 180.0° |
H5 | C5 | O5 | C1 | 51.4° | 58.8° |
H61 | C6 | H62 | H63 | 120.0° | 119.9° |
O5 | C1 | C2 | C3 | 47.1° | 57.6° |
O5 | C1 | C2 | O1 | 172.7° | 120.0° |
O5 | C1 | C2 | H1 | 93.6° | 119.9° |
O5 | C1 | C2 | H21 | 167.1° | 177.5° |
O5 | C1 | C2 | H22 | 72.9° | 62.3° |
O5 | C1 | O1 | H1 | 94.1° | 120.0° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
O3 | C3 | C2 | H3 | 116.3° | 120.2° |
O3 | C3 | C2 | C1 | 161.4° | 176.9° |
O3 | C3 | C2 | H21 | 78.6° | 63.3° |
O3 | C3 | C2 | H22 | 41.4° | 57.0° |
C2 | C3 | O3 | HO3 | 56.6° | 60.4° |
C3 | C2 | C1 | H21 | 120.0° | 119.9° |
C3 | C2 | C1 | H22 | 120.0° | 119.9° |
C3 | C2 | H21 | H22 | 120.0° | 120.2° |
C3 | C2 | C1 | O1 | 140.3° | 177.6° |
C3 | C2 | C1 | H1 | 46.6° | 62.3° |
H3 | C3 | O3 | HO3 | 58.9° | 59.8° |
H3 | C3 | C2 | C1 | 82.3° | 62.9° |
H3 | C3 | C2 | H21 | 37.7° | 56.9° |
H3 | C3 | C2 | H22 | 157.7° | 177.2° |
C1 | C2 | H21 | H22 | 120.1° | 120.1° |
C2 | C1 | O1 | H1 | 93.7° | 120.1° |
C2 | C1 | O1 | HO1 | 7.8° | 179.9° |
H21 | C2 | C1 | O1 | 20.3° | 62.5° |
H21 | C2 | C1 | H1 | 73.4° | 57.6° |
H22 | C2 | C1 | O1 | 99.8° | 57.7° |
H22 | C2 | C1 | H1 | 166.5° | 177.8° |
H1 | C1 | O1 | HO1 | 85.9° | 60.0° |