Z9E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | S1 | sing | 1.81Å | 1.83Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
S1 | HS1 | sing | 1.35Å | 1.30Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
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) |
S1 | C1 | C2 | 114.2° | 109.5° |
S1 | C1 | O5 | 114.9° | 109.5° |
S1 | C1 | H1 | 102.9° | 109.4° |
C1 | S1 | HS1 | 102.0° | 103.0° |
C2 | C1 | O5 | 111.7° | 109.5° |
C2 | C1 | H1 | 105.4° | 109.5° |
C1 | C2 | O2 | 110.0° | 109.5° |
C1 | C2 | C3 | 111.5° | 109.1° |
C1 | C2 | H2 | 108.1° | 109.6° |
O5 | C1 | H1 | 106.7° | 109.4° |
C1 | O5 | C5 | 115.8° | 114.1° |
O2 | C2 | C3 | 109.7° | 109.5° |
O2 | C2 | H2 | 109.5° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 108.1° | 109.5° |
C2 | C3 | O3 | 109.5° | 109.5° |
C2 | C3 | C4 | 109.9° | 109.1° |
C2 | C3 | H3 | 108.8° | 109.6° |
O3 | C3 | C4 | 109.5° | 109.5° |
O3 | C3 | H3 | 110.3° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 108.9° | 109.6° |
C3 | C4 | O4 | 110.1° | 109.5° |
C3 | C4 | C5 | 109.7° | 109.2° |
C3 | C4 | H4 | 108.6° | 109.5° |
O4 | C4 | C5 | 110.3° | 109.5° |
O4 | C4 | H4 | 109.6° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C4 | H4 | 108.5° | 109.6° |
C4 | C5 | O5 | 110.4° | 109.4° |
C4 | C5 | C6 | 108.3° | 109.5° |
C4 | C5 | H5 | 109.4° | 109.5° |
O5 | C5 | C6 | 108.6° | 109.5° |
O5 | C5 | H5 | 110.6° | 109.5° |
C6 | C5 | H5 | 109.5° | 109.6° |
C5 | C6 | O6 | 109.3° | 109.4° |
C5 | C6 | H61 | 109.5° | 109.4° |
C5 | C6 | H62 | 109.5° | 109.5° |
O6 | C6 | H61 | 109.5° | 109.4° |
O6 | C6 | H62 | 109.5° | 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) |
S1 | C1 | C2 | O5 | 132.5° | 120.0° |
S1 | C1 | C2 | H1 | 112.1° | 120.0° |
S1 | C1 | O5 | H1 | 113.3° | 120.0° |
S1 | C1 | C2 | O2 | 40.3° | 57.5° |
S1 | C1 | C2 | C3 | 81.6° | 62.4° |
S1 | C1 | C2 | H2 | 159.8° | 177.7° |
S1 | C1 | O5 | C5 | 78.3° | 58.9° |
C2 | C1 | O5 | H1 | 114.6° | 120.0° |
C2 | C1 | S1 | HS1 | 180.0° | 180.0° |
C1 | C2 | O2 | C3 | 122.9° | 119.6° |
C1 | C2 | O2 | H2 | 118.6° | 120.2° |
C1 | C2 | C3 | H2 | 118.6° | 119.9° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 173.4° | 176.8° |
C1 | C2 | C3 | C4 | 53.1° | 57.0° |
C1 | C2 | C3 | H3 | 66.0° | 63.0° |
C2 | C1 | O5 | C5 | 53.8° | 61.2° |
O5 | C1 | S1 | HS1 | 49.1° | 60.0° |
O5 | C1 | C2 | O2 | 172.7° | 177.5° |
O5 | C1 | C2 | C3 | 50.9° | 57.6° |
O5 | C1 | C2 | H2 | 67.7° | 62.3° |
C1 | O5 | C5 | C4 | 57.0° | 61.1° |
C1 | O5 | C5 | C6 | 175.6° | 178.9° |
C1 | O5 | C5 | H5 | 64.2° | 58.8° |
H1 | C1 | S1 | HS1 | 66.4° | 60.0° |
H1 | C1 | C2 | O2 | 71.8° | 62.5° |
H1 | C1 | C2 | C3 | 166.3° | 177.6° |
H1 | C1 | C2 | H2 | 47.7° | 57.7° |
H1 | C1 | O5 | C5 | 168.4° | 178.8° |
O2 | C2 | C3 | H2 | 119.4° | 120.2° |
O2 | C2 | C3 | O3 | 64.5° | 63.3° |
O2 | C2 | C3 | C4 | 175.1° | 176.9° |
O2 | C2 | C3 | H3 | 56.1° | 56.9° |
C3 | C2 | O2 | HO2 | 57.1° | 179.7° |
C2 | C3 | O3 | C4 | 120.5° | 119.5° |
C2 | C3 | O3 | H3 | 119.7° | 120.2° |
C2 | C3 | C4 | H3 | 119.0° | 120.0° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | O4 | 177.6° | 176.9° |
C2 | C3 | C4 | C5 | 56.0° | 57.0° |
C2 | C3 | C4 | H4 | 62.4° | 62.9° |
H2 | C2 | O2 | HO2 | 61.4° | 60.2° |
H2 | C2 | C3 | O3 | 54.8° | 56.9° |
H2 | C2 | C3 | C4 | 65.5° | 62.9° |
H2 | C2 | C3 | H3 | 175.4° | 177.1° |
O3 | C3 | C4 | H3 | 120.7° | 120.2° |
O3 | C3 | C4 | O4 | 62.1° | 63.3° |
O3 | C3 | C4 | C5 | 176.3° | 176.8° |
O3 | C3 | C4 | H4 | 57.9° | 56.9° |
C4 | C3 | O3 | HO3 | 59.5° | 179.6° |
C3 | C4 | O4 | C5 | 121.3° | 119.7° |
C3 | C4 | O4 | H4 | 119.3° | 120.1° |
C3 | C4 | C5 | H4 | 118.5° | 119.9° |
C3 | C4 | C5 | O5 | 56.8° | 57.6° |
C3 | C4 | C5 | C6 | 175.7° | 177.6° |
C3 | C4 | C5 | H5 | 65.1° | 62.3° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
H3 | C3 | O3 | HO3 | 60.3° | 60.2° |
H3 | C3 | C4 | O4 | 58.6° | 57.0° |
H3 | C3 | C4 | C5 | 63.0° | 63.0° |
H3 | C3 | C4 | H4 | 178.6° | 177.1° |
O4 | C4 | C5 | H4 | 120.0° | 120.2° |
O4 | C4 | C5 | O5 | 178.3° | 177.5° |
O4 | C4 | C5 | C6 | 62.8° | 62.5° |
O4 | C4 | C5 | H5 | 56.4° | 57.6° |
C4 | C5 | O5 | C6 | 118.6° | 119.9° |
C4 | C5 | O5 | H5 | 121.2° | 120.0° |
C4 | C5 | C6 | H5 | 119.2° | 120.0° |
C4 | C5 | C6 | O6 | 84.5° | 175.0° |
C4 | C5 | C6 | H61 | 155.5° | 55.0° |
C4 | C5 | C6 | H62 | 35.5° | 65.0° |
C5 | C4 | O4 | HO4 | 58.7° | 179.7° |
H4 | C4 | C5 | O5 | 61.6° | 62.3° |
H4 | C4 | C5 | C6 | 57.2° | 57.7° |
H4 | C4 | C5 | H5 | 176.5° | 177.8° |
H4 | C4 | O4 | HO4 | 60.7° | 60.1° |
O5 | C5 | C6 | H5 | 120.9° | 120.0° |
O5 | C5 | C6 | O6 | 35.4° | 65.1° |
O5 | C5 | C6 | H61 | 84.5° | 175.0° |
O5 | C5 | C6 | H62 | 155.4° | 54.9° |
C5 | C6 | O6 | H61 | 120.0° | 119.9° |
C5 | C6 | O6 | H62 | 120.0° | 120.1° |
C5 | C6 | H61 | H62 | 120.1° | 120.1° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
H5 | C5 | C6 | O6 | 156.3° | 54.9° |
H5 | C5 | C6 | H61 | 36.3° | 65.0° |
H5 | C5 | C6 | H62 | 83.7° | 175.0° |
O6 | C6 | H61 | H62 | 120.1° | 120.0° |
H61 | C6 | O6 | HO6 | 60.0° | 60.1° |
H62 | C6 | O6 | HO6 | 60.0° | 59.9° |