YZT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C6 | S6 | sing | 1.81Å | 1.76Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O1 | H1O | sing | 0.97Å | 0.95Å | |
O1S6 | H1S6 | sing | 0.97Å | 0.95Å | |
O1S6 | S6 | sing | 1.52Å | 1.63Å | |
O2 | H2O | sing | 0.97Å | 0.95Å | |
O2S6 | S6 | doub | 1.42Å | 1.45Å | |
O3 | H3O | sing | 0.97Å | 0.95Å | |
O3S6 | S6 | doub | 1.42Å | 1.45Å | |
O4 | H4O | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 107.9° | 109.5° |
O1 | C1 | O5 | 109.7° | 109.5° |
O1 | C1 | H1 | 110.0° | 109.5° |
C1 | O1 | H1O | 109.5° | 114.0° |
C2 | C1 | O5 | 110.5° | 109.5° |
C2 | C1 | H1 | 108.6° | 109.4° |
C1 | C2 | O2 | 108.3° | 109.5° |
C1 | C2 | C3 | 111.4° | 109.2° |
C1 | C2 | H2 | 108.8° | 109.5° |
O5 | C1 | H1 | 110.0° | 109.5° |
C1 | O5 | C5 | 112.6° | 114.1° |
O2 | C2 | C3 | 109.4° | 109.6° |
O2 | C2 | H2 | 110.2° | 109.5° |
C2 | O2 | H2O | 109.5° | 114.0° |
C3 | C2 | H2 | 108.8° | 109.6° |
C2 | C3 | O3 | 109.5° | 109.6° |
C2 | C3 | C4 | 111.2° | 109.1° |
C2 | C3 | H3 | 108.9° | 109.5° |
O3 | C3 | C4 | 108.0° | 109.6° |
O3 | C3 | H3 | 110.3° | 109.5° |
C3 | O3 | H3O | 109.5° | 114.0° |
C4 | C3 | H3 | 108.9° | 109.6° |
C3 | C4 | O4 | 109.3° | 109.5° |
C3 | C4 | C5 | 110.8° | 109.1° |
C3 | C4 | H4 | 108.7° | 109.5° |
O4 | C4 | C5 | 109.3° | 109.6° |
O4 | C4 | H4 | 110.1° | 109.6° |
C4 | O4 | H4O | 109.5° | 114.1° |
C5 | C4 | H4 | 108.7° | 109.6° |
C4 | C5 | C6 | 111.8° | 109.4° |
C4 | C5 | H5 | 108.7° | 109.5° |
C4 | C5 | O5 | 109.9° | 109.5° |
C6 | C5 | H5 | 108.8° | 109.5° |
C6 | C5 | O5 | 107.6° | 109.5° |
C5 | C6 | S6 | 111.1° | 109.4° |
C5 | C6 | H61 | 109.1° | 109.5° |
C5 | C6 | H62 | 109.0° | 109.5° |
H5 | C5 | O5 | 110.1° | 109.5° |
S6 | C6 | H61 | 109.1° | 109.5° |
S6 | C6 | H62 | 109.1° | 109.5° |
C6 | S6 | O1S6 | 97.7° | 104.4° |
C6 | S6 | O2S6 | 109.2° | 110.5° |
C6 | S6 | O3S6 | 109.1° | 110.5° |
H61 | C6 | H62 | 109.5° | 109.4° |
H1S6 | O1S6 | S6 | 109.5° | 114.0° |
O1S6 | S6 | O2S6 | 108.6° | 104.3° |
O1S6 | S6 | O3S6 | 108.6° | 104.3° |
O2S6 | S6 | O3S6 | 121.2° | 121.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | O5 | 120.0° | 120.0° |
O1 | C1 | C2 | H1 | 119.2° | 120.0° |
O1 | C1 | O5 | H1 | 121.1° | 120.0° |
O1 | C1 | C2 | O2 | 65.8° | 62.4° |
O1 | C1 | C2 | C3 | 173.9° | 177.6° |
O1 | C1 | C2 | H2 | 54.0° | 57.6° |
O1 | C1 | O5 | C5 | 178.9° | 178.9° |
C2 | C1 | O5 | H1 | 119.9° | 120.0° |
C1 | C2 | O2 | C3 | 121.5° | 119.7° |
C1 | C2 | O2 | H2 | 118.9° | 120.0° |
C1 | C2 | C3 | H2 | 119.9° | 119.9° |
C1 | C2 | C3 | O3 | 167.9° | 176.8° |
C1 | C2 | C3 | C4 | 48.6° | 56.9° |
C1 | C2 | C3 | H3 | 71.5° | 63.1° |
C2 | C1 | O5 | C5 | 62.1° | 61.1° |
C2 | C1 | O1 | H1O | 180.0° | 179.9° |
C1 | C2 | O2 | H2O | 180.0° | 60.0° |
O5 | C1 | C2 | O2 | 174.2° | 177.5° |
O5 | C1 | C2 | C3 | 53.9° | 57.5° |
O5 | C1 | C2 | H2 | 66.1° | 62.4° |
C1 | O5 | C5 | C4 | 63.1° | 61.1° |
C1 | O5 | C5 | C6 | 174.9° | 178.9° |
C1 | O5 | C5 | H5 | 56.6° | 58.9° |
O5 | C1 | O1 | H1O | 59.5° | 60.0° |
H1 | C1 | C2 | O2 | 53.4° | 57.5° |
H1 | C1 | C2 | C3 | 66.9° | 62.5° |
H1 | C1 | C2 | H2 | 173.2° | 177.6° |
H1 | C1 | O5 | C5 | 57.8° | 58.9° |
H1 | C1 | O1 | H1O | 61.6° | 60.0° |
O2 | C2 | C3 | H2 | 120.4° | 120.2° |
O2 | C2 | C3 | O3 | 72.5° | 63.2° |
O2 | C2 | C3 | C4 | 168.2° | 176.9° |
O2 | C2 | C3 | H3 | 48.2° | 56.9° |
C2 | C3 | O3 | C4 | 121.3° | 119.6° |
C2 | C3 | O3 | H3 | 119.8° | 120.1° |
C2 | C3 | C4 | H3 | 120.1° | 119.9° |
C2 | C3 | C4 | O4 | 170.1° | 176.9° |
C2 | C3 | C4 | C5 | 49.5° | 57.0° |
C2 | C3 | C4 | H4 | 69.8° | 63.0° |
C3 | C2 | O2 | H2O | 58.5° | 179.7° |
C2 | C3 | O3 | H3O | 180.0° | 59.9° |
H2 | C2 | C3 | O3 | 48.0° | 57.0° |
H2 | C2 | C3 | C4 | 71.3° | 62.9° |
H2 | C2 | C3 | H3 | 168.6° | 177.1° |
H2 | C2 | O2 | H2O | 61.1° | 60.0° |
O3 | C3 | C4 | H3 | 119.8° | 120.2° |
O3 | C3 | C4 | O4 | 69.8° | 63.2° |
O3 | C3 | C4 | C5 | 169.7° | 176.9° |
O3 | C3 | C4 | H4 | 50.4° | 57.0° |
C3 | C4 | O4 | C5 | 121.4° | 119.7° |
C3 | C4 | O4 | H4 | 119.3° | 120.1° |
C3 | C4 | C5 | H4 | 119.3° | 119.9° |
C3 | C4 | C5 | C6 | 175.2° | 177.6° |
C3 | C4 | C5 | H5 | 64.7° | 62.4° |
C3 | C4 | C5 | O5 | 55.8° | 57.6° |
C4 | C3 | O3 | H3O | 58.8° | 179.5° |
C3 | C4 | O4 | H4O | 180.0° | 60.0° |
H3 | C3 | C4 | O4 | 50.0° | 57.0° |
H3 | C3 | C4 | C5 | 70.5° | 63.0° |
H3 | C3 | C4 | H4 | 170.2° | 177.1° |
H3 | C3 | O3 | H3O | 60.2° | 60.2° |
O4 | C4 | C5 | H4 | 120.1° | 120.2° |
O4 | C4 | C5 | C6 | 64.3° | 62.5° |
O4 | C4 | C5 | H5 | 55.9° | 57.5° |
O4 | C4 | C5 | O5 | 176.4° | 177.5° |
C4 | C5 | C6 | H5 | 120.1° | 120.0° |
C4 | C5 | C6 | O5 | 120.7° | 120.0° |
C4 | C5 | H5 | O5 | 120.4° | 120.0° |
C4 | C5 | C6 | S6 | 179.4° | 175.0° |
C4 | C5 | C6 | H61 | 60.4° | 55.0° |
C4 | C5 | C6 | H62 | 59.1° | 65.0° |
C5 | C4 | O4 | H4O | 58.5° | 179.7° |
H4 | C4 | C5 | C6 | 55.9° | 57.7° |
H4 | C4 | C5 | H5 | 176.0° | 177.7° |
H4 | C4 | C5 | O5 | 63.5° | 62.3° |
H4 | C4 | O4 | H4O | 60.7° | 60.1° |
C6 | C5 | H5 | O5 | 117.6° | 120.0° |
C5 | C6 | S6 | H61 | 120.3° | 120.0° |
C5 | C6 | S6 | H62 | 120.2° | 120.0° |
C5 | C6 | H61 | H62 | 119.2° | 120.0° |
C5 | C6 | S6 | O1S6 | 172.8° | 180.0° |
C5 | C6 | S6 | O2S6 | 60.0° | 68.4° |
C5 | C6 | S6 | O3S6 | 74.4° | 68.4° |
H5 | C5 | C6 | S6 | 60.6° | 55.0° |
H5 | C5 | C6 | H61 | 59.7° | 65.0° |
H5 | C5 | C6 | H62 | 179.2° | 175.0° |
O5 | C5 | C6 | S6 | 58.6° | 65.1° |
O5 | C5 | C6 | H61 | 178.9° | 174.9° |
O5 | C5 | C6 | H62 | 61.6° | 55.0° |
S6 | C6 | H61 | H62 | 119.3° | 120.0° |
C6 | S6 | O1S6 | H1S6 | 113.1° | 180.0° |
C6 | S6 | O1S6 | O2S6 | 113.3° | 116.1° |
C6 | S6 | O1S6 | O3S6 | 113.1° | 116.1° |
C6 | S6 | O2S6 | O3S6 | 127.9° | 131.5° |
H61 | C6 | S6 | O1S6 | 52.6° | 60.0° |
H61 | C6 | S6 | O2S6 | 60.3° | 171.6° |
H61 | C6 | S6 | O3S6 | 165.3° | 51.6° |
H62 | C6 | S6 | O1S6 | 67.0° | 60.0° |
H62 | C6 | S6 | O2S6 | 179.8° | 51.6° |
H62 | C6 | S6 | O3S6 | 45.8° | 171.6° |
H1S6 | O1S6 | S6 | O2S6 | 133.6° | 63.9° |
H1S6 | O1S6 | S6 | O3S6 | 0.0° | 63.9° |
O1S6 | S6 | O2S6 | O3S6 | 126.6° | 116.8° |