O60
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.48Å | |
C1 | O3 | sing | 1.43Å | 1.46Å | |
N1 | S1 | sing | 1.66Å | 1.58Å | |
O1 | S1 | doub | 1.42Å | 1.42Å | |
S1 | O2 | doub | 1.42Å | 1.42Å | |
S1 | O3 | sing | 1.52Å | 1.57Å | |
C2 | C3 | sing | 1.53Å | 1.50Å | |
N2 | S2 | sing | 1.66Å | 1.59Å | |
S2 | O4 | sing | 1.52Å | 1.57Å | |
S2 | O5 | doub | 1.42Å | 1.43Å | |
S2 | O6 | doub | 1.42Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.50Å | |
C4 | C5 | sing | 1.53Å | 1.50Å | |
O4 | C10 | sing | 1.43Å | 1.46Å | |
C5 | C6 | sing | 1.53Å | 1.47Å | |
C6 | C7 | sing | 1.53Å | 1.50Å | |
C7 | C8 | sing | 1.53Å | 1.50Å | |
C8 | C9 | sing | 1.53Å | 1.50Å | |
C9 | C10 | sing | 1.53Å | 1.47Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N1 | HN1A | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N2 | HN2A | sing | 0.97Å | 1.00Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O3 | 107.5° | 109.5° |
C1 | C2 | C3 | 113.9° | 109.5° |
C2 | C1 | H1 | 110.1° | 109.4° |
C2 | C1 | H1A | 110.2° | 109.5° |
C1 | C2 | H2 | 108.0° | 109.5° |
C1 | C2 | H2A | 108.0° | 109.5° |
C1 | O3 | S1 | 116.8° | 114.0° |
O3 | C1 | H1 | 110.1° | 109.4° |
O3 | C1 | H1A | 110.1° | 109.5° |
N1 | S1 | O1 | 109.1° | 106.4° |
N1 | S1 | O2 | 108.4° | 106.4° |
N1 | S1 | O3 | 106.6° | 107.2° |
S1 | N1 | HN1 | 109.5° | 120.0° |
S1 | N1 | HN1A | 109.5° | 120.0° |
O1 | S1 | O2 | 119.6° | 123.1° |
O1 | S1 | O3 | 105.8° | 106.4° |
O2 | S1 | O3 | 106.6° | 106.4° |
C2 | C3 | C4 | 113.3° | 109.5° |
C3 | C2 | H2 | 108.0° | 109.5° |
C3 | C2 | H2A | 108.0° | 109.5° |
C2 | C3 | H3 | 108.2° | 109.5° |
C2 | C3 | H3A | 108.2° | 109.5° |
N2 | S2 | O4 | 106.8° | 107.2° |
N2 | S2 | O5 | 108.8° | 106.4° |
N2 | S2 | O6 | 108.5° | 106.4° |
S2 | N2 | HN2 | 109.5° | 120.0° |
S2 | N2 | HN2A | 109.4° | 119.9° |
O4 | S2 | O5 | 106.3° | 106.4° |
O4 | S2 | O6 | 106.1° | 106.4° |
S2 | O4 | C10 | 117.7° | 114.0° |
O5 | S2 | O6 | 119.7° | 123.2° |
C3 | C4 | C5 | 114.1° | 109.4° |
C4 | C3 | H3 | 108.2° | 109.5° |
C4 | C3 | H3A | 108.2° | 109.5° |
C3 | C4 | H4 | 108.0° | 109.4° |
C3 | C4 | H4A | 108.0° | 109.5° |
C4 | C5 | C6 | 113.5° | 109.4° |
C5 | C4 | H4 | 108.0° | 109.5° |
C5 | C4 | H4A | 108.0° | 109.5° |
C4 | C5 | H5 | 108.2° | 109.4° |
C4 | C5 | H5A | 108.1° | 109.4° |
O4 | C10 | C9 | 105.9° | 109.5° |
O4 | C10 | H10 | 110.7° | 109.4° |
O4 | C10 | H10A | 110.7° | 109.5° |
C5 | C6 | C7 | 113.5° | 109.4° |
C6 | C5 | H5 | 108.1° | 109.5° |
C6 | C5 | H5A | 108.2° | 109.5° |
C5 | C6 | H6 | 108.1° | 109.5° |
C5 | C6 | H6A | 108.2° | 109.5° |
C6 | C7 | C8 | 113.9° | 109.4° |
C7 | C6 | H6 | 108.2° | 109.4° |
C7 | C6 | H6A | 108.2° | 109.4° |
C6 | C7 | H7 | 108.0° | 109.5° |
C6 | C7 | H7A | 108.0° | 109.5° |
C7 | C8 | C9 | 113.4° | 109.4° |
C8 | C7 | H7 | 108.0° | 109.5° |
C8 | C7 | H7A | 108.0° | 109.5° |
C7 | C8 | H8 | 108.2° | 109.5° |
C7 | C8 | H8A | 108.2° | 109.5° |
C8 | C9 | C10 | 113.4° | 109.4° |
C9 | C8 | H8 | 108.2° | 109.5° |
C9 | C8 | H8A | 108.2° | 109.5° |
C8 | C9 | H9 | 108.2° | 109.5° |
C8 | C9 | H9A | 108.2° | 109.4° |
C10 | C9 | H9 | 108.2° | 109.5° |
C10 | C9 | H9A | 108.2° | 109.4° |
C9 | C10 | H10 | 110.6° | 109.4° |
C9 | C10 | H10A | 110.7° | 109.5° |
H1 | C1 | H1A | 108.8° | 109.5° |
HN1 | N1 | HN1A | 109.5° | 120.0° |
H2 | C2 | H2A | 110.9° | 109.4° |
HN2 | N2 | HN2A | 109.5° | 120.1° |
H3 | C3 | H3A | 110.7° | 109.5° |
H4 | C4 | H4A | 110.9° | 109.5° |
H5 | C5 | H5A | 110.8° | 109.5° |
H6 | C6 | H6A | 110.7° | 109.5° |
H7 | C7 | H7A | 110.9° | 109.5° |
H8 | C8 | H8A | 110.7° | 109.5° |
H9 | C9 | H9A | 110.7° | 109.5° |
H10 | C10 | H10A | 108.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O3 | H1 | 120.0° | 119.9° |
C2 | C1 | O3 | H1A | 120.0° | 120.0° |
C2 | C1 | O3 | S1 | 174.0° | 180.0° |
C1 | C2 | C3 | H2 | 120.0° | 120.0° |
C1 | C2 | C3 | H2A | 120.0° | 120.0° |
C1 | C2 | C3 | C4 | 178.4° | 180.0° |
C2 | C1 | H1 | H1A | 120.8° | 120.0° |
C1 | C2 | H2 | H2A | 118.2° | 120.0° |
C1 | C2 | C3 | H3 | 58.4° | 60.0° |
C1 | C2 | C3 | H3A | 61.6° | 60.0° |
C1 | O3 | S1 | N1 | 43.7° | 75.0° |
C1 | O3 | S1 | O1 | 72.4° | 38.6° |
C1 | O3 | S1 | O2 | 159.3° | 171.5° |
O3 | C1 | C2 | C3 | 64.0° | 180.0° |
O3 | C1 | H1 | H1A | 120.8° | 120.0° |
O3 | C1 | C2 | H2 | 56.0° | 60.0° |
O3 | C1 | C2 | H2A | 176.0° | 60.0° |
N1 | S1 | O1 | O2 | 125.5° | 122.9° |
N1 | S1 | O1 | O3 | 114.3° | 114.1° |
N1 | S1 | O2 | O3 | 114.4° | 114.1° |
S1 | N1 | HN1 | HN1A | 120.0° | 180.0° |
O1 | S1 | O2 | O3 | 119.8° | 122.9° |
O1 | S1 | N1 | HN1 | 180.0° | 113.5° |
O1 | S1 | N1 | HN1A | 60.0° | 66.5° |
O2 | S1 | N1 | HN1 | 48.2° | 113.6° |
O2 | S1 | N1 | HN1A | 71.8° | 66.4° |
S1 | O3 | C1 | H1 | 54.0° | 60.1° |
S1 | O3 | C1 | H1A | 66.0° | 60.0° |
O3 | S1 | N1 | HN1 | 66.1° | 0.0° |
O3 | S1 | N1 | HN1A | 173.9° | 180.0° |
C2 | C3 | C4 | H3 | 120.0° | 120.0° |
C2 | C3 | C4 | H3A | 120.0° | 120.0° |
C2 | C3 | C4 | C5 | 65.3° | 180.0° |
C3 | C2 | C1 | H1 | 56.0° | 60.0° |
C3 | C2 | C1 | H1A | 176.0° | 60.0° |
C3 | C2 | H2 | H2A | 118.2° | 120.0° |
C2 | C3 | H3 | H3A | 118.4° | 120.0° |
C2 | C3 | C4 | H4 | 54.8° | 60.1° |
C2 | C3 | C4 | H4A | 174.8° | 60.0° |
N2 | S2 | O4 | O5 | 116.0° | 113.5° |
N2 | S2 | O4 | O6 | 115.7° | 113.5° |
N2 | S2 | O5 | O6 | 125.4° | 122.9° |
N2 | S2 | O4 | C10 | 50.6° | 75.0° |
S2 | N2 | HN2 | HN2A | 120.0° | 179.9° |
O4 | S2 | O5 | O6 | 119.9° | 123.0° |
S2 | O4 | C10 | C9 | 171.1° | 180.0° |
O4 | S2 | N2 | HN2 | 180.0° | 0.0° |
O4 | S2 | N2 | HN2A | 60.0° | 180.0° |
S2 | O4 | C10 | H10 | 51.1° | 60.1° |
S2 | O4 | C10 | H10A | 68.9° | 60.0° |
O5 | S2 | O4 | C10 | 65.4° | 38.5° |
O5 | S2 | N2 | HN2 | 65.7° | 113.5° |
O5 | S2 | N2 | HN2A | 54.3° | 66.4° |
O6 | S2 | O4 | C10 | 166.3° | 171.5° |
O6 | S2 | N2 | HN2 | 66.0° | 113.5° |
O6 | S2 | N2 | HN2A | 174.0° | 66.5° |
C3 | C4 | C5 | H4 | 120.0° | 119.9° |
C3 | C4 | C5 | H4A | 120.0° | 120.0° |
C3 | C4 | C5 | C6 | 177.1° | 180.0° |
C4 | C3 | C2 | H2 | 61.6° | 60.0° |
C4 | C3 | C2 | H2A | 58.4° | 60.0° |
C4 | C3 | H3 | H3A | 118.4° | 120.0° |
C3 | C4 | H4 | H4A | 118.1° | 120.0° |
C3 | C4 | C5 | H5 | 62.9° | 60.0° |
C3 | C4 | C5 | H5A | 57.1° | 60.0° |
C4 | C5 | C6 | H5 | 120.0° | 120.0° |
C4 | C5 | C6 | H5A | 120.0° | 120.0° |
C4 | C5 | C6 | C7 | 173.3° | 180.0° |
C5 | C4 | C3 | H3 | 174.8° | 60.0° |
C5 | C4 | C3 | H3A | 54.7° | 60.0° |
C5 | C4 | H4 | H4A | 118.1° | 120.1° |
C4 | C5 | H5 | H5A | 118.3° | 120.0° |
C4 | C5 | C6 | H6 | 66.6° | 60.0° |
C4 | C5 | C6 | H6A | 53.3° | 60.0° |
O4 | C10 | C9 | C8 | 161.5° | 180.0° |
O4 | C10 | C9 | H10 | 120.0° | 119.9° |
O4 | C10 | C9 | H10A | 120.0° | 120.1° |
O4 | C10 | C9 | H9 | 41.5° | 60.0° |
O4 | C10 | C9 | H9A | 78.5° | 60.1° |
O4 | C10 | H10 | H10A | 121.5° | 120.0° |
C5 | C6 | C7 | H6 | 120.0° | 120.0° |
C5 | C6 | C7 | H6A | 120.0° | 120.0° |
C5 | C6 | C7 | C8 | 173.4° | 180.0° |
C6 | C5 | C4 | H4 | 57.1° | 60.1° |
C6 | C5 | C4 | H4A | 62.9° | 60.0° |
C6 | C5 | H5 | H5A | 118.4° | 120.1° |
C5 | C6 | H6 | H6A | 118.4° | 120.1° |
C5 | C6 | C7 | H7 | 53.4° | 60.0° |
C5 | C6 | C7 | H7A | 66.6° | 60.0° |
C6 | C7 | C8 | H7 | 120.0° | 120.0° |
C6 | C7 | C8 | H7A | 120.0° | 120.0° |
C6 | C7 | C8 | C9 | 65.3° | 180.0° |
C7 | C6 | C5 | H5 | 53.3° | 60.0° |
C7 | C6 | C5 | H5A | 66.7° | 60.0° |
C7 | C6 | H6 | H6A | 118.3° | 120.0° |
C6 | C7 | H7 | H7A | 118.2° | 120.0° |
C6 | C7 | C8 | H8 | 174.6° | 60.0° |
C6 | C7 | C8 | H8A | 54.6° | 60.0° |
C7 | C8 | C9 | H8 | 120.0° | 120.0° |
C7 | C8 | C9 | H8A | 120.0° | 120.0° |
C7 | C8 | C9 | C10 | 162.3° | 180.0° |
C8 | C7 | C6 | H6 | 66.6° | 60.0° |
C8 | C7 | C6 | H6A | 53.4° | 60.0° |
C8 | C7 | H7 | H7A | 118.2° | 120.0° |
C7 | C8 | H8 | H8A | 118.4° | 120.0° |
C7 | C8 | C9 | H9 | 42.3° | 60.0° |
C7 | C8 | C9 | H9A | 77.6° | 60.1° |
C8 | C9 | C10 | H9 | 120.0° | 120.0° |
C8 | C9 | C10 | H9A | 120.0° | 119.9° |
C9 | C8 | C7 | H7 | 54.6° | 60.0° |
C9 | C8 | C7 | H7A | 174.7° | 60.0° |
C9 | C8 | H8 | H8A | 118.4° | 120.0° |
C8 | C9 | H9 | H9A | 118.4° | 120.0° |
C8 | C9 | C10 | H10 | 41.5° | 60.1° |
C8 | C9 | C10 | H10A | 78.4° | 59.9° |
C10 | C9 | C8 | H8 | 77.6° | 60.0° |
C10 | C9 | C8 | H8A | 42.3° | 60.1° |
C10 | C9 | H9 | H9A | 118.4° | 120.0° |
C9 | C10 | H10 | H10A | 121.4° | 120.0° |
H1 | C1 | C2 | H2 | 176.0° | 60.0° |
H1 | C1 | C2 | H2A | 64.0° | 179.9° |
H1A | C1 | C2 | H2 | 64.0° | 180.0° |
H1A | C1 | C2 | H2A | 56.0° | 60.1° |
H2 | C2 | C3 | H3 | 178.4° | 180.0° |
H2 | C2 | C3 | H3A | 58.4° | 60.0° |
H2A | C2 | C3 | H3 | 61.6° | 60.0° |
H2A | C2 | C3 | H3A | 178.4° | 180.0° |
H3 | C3 | C4 | H4 | 65.2° | 180.0° |
H3 | C3 | C4 | H4A | 54.8° | 60.0° |
H3A | C3 | C4 | H4 | 174.8° | 59.9° |
H3A | C3 | C4 | H4A | 65.2° | 180.0° |
H4 | C4 | C5 | H5 | 177.1° | 179.9° |
H4 | C4 | C5 | H5A | 62.9° | 60.0° |
H4A | C4 | C5 | H5 | 57.1° | 60.0° |
H4A | C4 | C5 | H5A | 177.1° | 180.0° |
H5 | C5 | C6 | H6 | 173.3° | 180.0° |
H5 | C5 | C6 | H6A | 66.7° | 59.9° |
H5A | C5 | C6 | H6 | 53.3° | 59.9° |
H5A | C5 | C6 | H6A | 173.3° | 180.0° |
H6 | C6 | C7 | H7 | 173.4° | 180.0° |
H6 | C6 | C7 | H7A | 53.4° | 60.0° |
H6A | C6 | C7 | H7 | 66.6° | 60.0° |
H6A | C6 | C7 | H7A | 173.4° | 180.0° |
H7 | C7 | C8 | H8 | 65.4° | 180.0° |
H7 | C7 | C8 | H8A | 174.6° | 60.0° |
H7A | C7 | C8 | H8 | 54.7° | 60.0° |
H7A | C7 | C8 | H8A | 65.3° | 180.0° |
H8 | C8 | C9 | H9 | 162.4° | NaN° |
H8 | C8 | C9 | H9A | 42.4° | 59.9° |
H8A | C8 | C9 | H9 | 77.7° | 60.0° |
H8A | C8 | C9 | H9A | 162.4° | 180.0° |
H9 | C9 | C10 | H10 | 78.5° | 59.9° |
H9 | C9 | C10 | H10A | 161.6° | 180.0° |
H9A | C9 | C10 | H10 | 161.5° | 180.0° |
H9A | C9 | C10 | H10A | 41.6° | 60.0° |