9SB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3S | S2 | doub | 1.42Å | 1.48Å | |
| S2 | C2 | sing | 1.81Å | 1.66Å | |
| S2 | O1S | doub | 1.42Å | 1.48Å | |
| S2 | O2S | sing | 1.52Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | BR1 | sing | 1.97Å | 2.01Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| O2S | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3S | S2 | C2 | 109.3° | 110.6° |
| O3S | S2 | O1S | 109.1° | 121.0° |
| O3S | S2 | O2S | 109.3° | 104.3° |
| C2 | S2 | O1S | 109.6° | 110.6° |
| C2 | S2 | O2S | 110.0° | 104.5° |
| S2 | C2 | C1 | 109.3° | 109.5° |
| S2 | C2 | H3 | 109.5° | 109.5° |
| S2 | C2 | H4 | 109.5° | 109.5° |
| O1S | S2 | O2S | 109.5° | 104.3° |
| S2 | O2S | H5 | 109.5° | 114.0° |
| C2 | C1 | BR1 | 108.4° | 109.5° |
| C2 | C1 | H1 | 109.7° | 109.5° |
| C2 | C1 | H2 | 109.7° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| BR1 | C1 | H1 | 109.8° | 109.5° |
| BR1 | C1 | H2 | 109.8° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3S | S2 | C2 | O1S | 119.6° | 136.7° |
| O3S | S2 | C2 | O2S | 120.0° | 111.6° |
| O3S | S2 | O1S | O2S | 119.6° | 116.7° |
| O3S | S2 | C2 | C1 | 156.8° | 68.4° |
| O3S | S2 | C2 | H3 | 36.8° | 171.6° |
| O3S | S2 | C2 | H4 | 83.3° | 51.6° |
| O3S | S2 | O2S | H5 | 0.0° | 63.9° |
| C2 | S2 | O1S | O2S | 120.7° | 111.8° |
| S2 | C2 | C1 | H3 | 119.9° | 120.0° |
| S2 | C2 | C1 | H4 | 120.0° | 120.0° |
| S2 | C2 | C1 | BR1 | 172.4° | 180.0° |
| S2 | C2 | C1 | H1 | 52.5° | 60.0° |
| S2 | C2 | C1 | H2 | 67.8° | 60.0° |
| S2 | C2 | H3 | H4 | 120.1° | 120.1° |
| C2 | S2 | O2S | H5 | 120.0° | 180.0° |
| O1S | S2 | C2 | C1 | 83.7° | 68.3° |
| O1S | S2 | C2 | H3 | 156.4° | 51.6° |
| O1S | S2 | C2 | H4 | 36.3° | 171.6° |
| O1S | S2 | O2S | H5 | 119.5° | 63.9° |
| O2S | S2 | C2 | C1 | 36.8° | 180.0° |
| O2S | S2 | C2 | H3 | 83.2° | 60.0° |
| O2S | S2 | C2 | H4 | 156.7° | 60.0° |
| C2 | C1 | BR1 | H1 | 119.8° | 120.0° |
| C2 | C1 | BR1 | H2 | 119.8° | 120.0° |
| C2 | C1 | H1 | H2 | 120.5° | 120.0° |
| C1 | C2 | H3 | H4 | 120.1° | 120.0° |
| BR1 | C1 | H1 | H2 | 120.5° | 120.0° |
| BR1 | C1 | C2 | H3 | 67.7° | 60.0° |
| BR1 | C1 | C2 | H4 | 52.4° | 60.0° |
| H1 | C1 | C2 | H3 | 172.5° | 60.0° |
| H1 | C1 | C2 | H4 | 67.4° | 180.0° |
| H2 | C1 | C2 | H3 | 52.1° | 180.0° |
| H2 | C1 | C2 | H4 | 172.2° | 60.0° |
