2O8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F02 | C04 | sing | 1.40Å | 1.33Å | |
| F01 | C04 | sing | 1.40Å | 1.33Å | |
| C04 | F | sing | 1.40Å | 1.33Å | |
| C04 | S | sing | 1.81Å | 1.77Å | |
| S | C02 | sing | 1.76Å | 1.77Å | |
| C02 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C | sing | 1.37Å | 1.39Å | Aromatic |
| C01 | C06 | doub | 1.37Å | 1.39Å | Aromatic |
| C | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C03 | sing | 1.47Å | 1.49Å | |
| C03 | O | doub | 1.22Å | 1.22Å | |
| C03 | N | sing | 1.35Å | 1.43Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F02 | C04 | F01 | 109.3° | 109.5° |
| F02 | C04 | F | 109.3° | 109.4° |
| F02 | C04 | S | 109.7° | 109.5° |
| F01 | C04 | F | 109.6° | 109.4° |
| F01 | C04 | S | 109.0° | 109.5° |
| F | C04 | S | 109.8° | 109.5° |
| C04 | S | C02 | 110.0° | 103.0° |
| S | C02 | C05 | 121.2° | 120.0° |
| S | C02 | C01 | 120.7° | 120.0° |
| C05 | C02 | C01 | 118.1° | 120.1° |
| C02 | C05 | C | 120.6° | 120.1° |
| C02 | C05 | H4 | 119.7° | 120.0° |
| C02 | C01 | C06 | 121.3° | 120.1° |
| C02 | C01 | H1 | 119.4° | 119.9° |
| C05 | C | C07 | 121.5° | 119.9° |
| C | C05 | H4 | 119.7° | 119.9° |
| C05 | C | H6 | 119.2° | 120.1° |
| C01 | C06 | C07 | 120.9° | 119.9° |
| C06 | C01 | H1 | 119.4° | 120.0° |
| C01 | C06 | H5 | 119.5° | 120.0° |
| C | C07 | C06 | 117.6° | 119.9° |
| C | C07 | C03 | 121.3° | 120.1° |
| C07 | C | H6 | 119.3° | 120.0° |
| C06 | C07 | C03 | 121.1° | 120.0° |
| C07 | C06 | H5 | 119.6° | 120.0° |
| C07 | C03 | O | 119.9° | 120.0° |
| C07 | C03 | N | 119.9° | 120.0° |
| O | C03 | N | 120.2° | 120.0° |
| C03 | N | H2 | 120.0° | 120.0° |
| C03 | N | H3 | 120.0° | 120.0° |
| H2 | N | H3 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F02 | C04 | F01 | F | 119.8° | 119.9° |
| F02 | C04 | F01 | S | 119.9° | 120.0° |
| F02 | C04 | F | S | 120.4° | 120.0° |
| F02 | C04 | S | C02 | 153.3° | 60.0° |
| F01 | C04 | F | S | 119.7° | 120.0° |
| F01 | C04 | S | C02 | 87.1° | 60.0° |
| F | C04 | S | C02 | 33.1° | 180.0° |
| C04 | S | C02 | C05 | 52.9° | 180.0° |
| C04 | S | C02 | C01 | 127.1° | 0.1° |
| S | C02 | C05 | C01 | 180.0° | 179.9° |
| S | C02 | C05 | C | 179.9° | 179.9° |
| S | C02 | C01 | C06 | 179.9° | 180.0° |
| S | C02 | C01 | H1 | 0.0° | 0.4° |
| S | C02 | C05 | H4 | 0.1° | 0.0° |
| C02 | C05 | C | H4 | 180.0° | 180.0° |
| C05 | C02 | C01 | C06 | 0.1° | 0.0° |
| C02 | C05 | C | C07 | 0.2° | 0.2° |
| C05 | C02 | C01 | H1 | 179.9° | 179.7° |
| C02 | C05 | C | H6 | 179.8° | 180.0° |
| C01 | C02 | C05 | C | 0.1° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C02 | C01 | C06 | C07 | 0.2° | 0.3° |
| C01 | C02 | C05 | H4 | 179.9° | 180.0° |
| C02 | C01 | C06 | H5 | 179.8° | 179.7° |
| C05 | C | C07 | H6 | 180.0° | 179.8° |
| C05 | C | C07 | C06 | 0.1° | 0.4° |
| C05 | C | C07 | C03 | 179.9° | 180.0° |
| C01 | C06 | C07 | C | 0.1° | 0.5° |
| C01 | C06 | C07 | H5 | 180.0° | 180.0° |
| C01 | C06 | C07 | C03 | 179.9° | 180.0° |
| C | C07 | C06 | C03 | 180.0° | 179.5° |
| C | C07 | C03 | O | 98.6° | 179.5° |
| C | C07 | C03 | N | 81.3° | 0.5° |
| C07 | C | C05 | H4 | 179.9° | 179.8° |
| C | C07 | C06 | H5 | 179.8° | 179.5° |
| C06 | C07 | C03 | O | 81.4° | 0.0° |
| C06 | C07 | C03 | N | 98.6° | 180.0° |
| C07 | C06 | C01 | H1 | 179.8° | 179.9° |
| C06 | C07 | C | H6 | 180.0° | 179.8° |
| C07 | C03 | O | N | 180.0° | 180.0° |
| C07 | C03 | N | H2 | 180.0° | 180.0° |
| C07 | C03 | N | H3 | 0.0° | 0.0° |
| C03 | C07 | C06 | H5 | 0.1° | 0.0° |
| C03 | C07 | C | H6 | 0.1° | 0.2° |
| O | C03 | N | H2 | 0.0° | 0.0° |
| O | C03 | N | H3 | 180.0° | 179.9° |
| C03 | N | H2 | H3 | 180.0° | 179.9° |
| H1 | C01 | C06 | H5 | 0.2° | 0.0° |
| H4 | C05 | C | H6 | 0.1° | 0.1° |
