DTN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S1 | O1 | doub | 1.47Å | 1.51Å | |
S1 | O2 | sing | 1.47Å | 1.51Å | |
S1 | S2 | sing | 2.05Å | 2.07Å | |
S2 | O3 | doub | 1.47Å | 1.50Å | |
S2 | O4 | sing | 1.47Å | 1.50Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | S1 | O2 | 119.6° | 103.0° |
O1 | S1 | S2 | 118.1° | 103.0° |
O2 | S1 | S2 | 118.7° | 103.0° |
S1 | S2 | O3 | 118.7° | 103.0° |
S1 | S2 | O4 | 119.8° | 103.0° |
O3 | S2 | O4 | 119.6° | 103.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | S1 | O2 | S2 | 158.5° | 106.9° |
O1 | S1 | S2 | O3 | 146.3° | 33.8° |
O1 | S1 | S2 | O4 | 18.1° | 73.1° |
O2 | S1 | S2 | O3 | 12.5° | 73.1° |
O2 | S1 | S2 | O4 | 176.9° | 180.0° |
S1 | S2 | O3 | O4 | 164.5° | 106.9° |