S9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C6 | sing | 1.35Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.49Å | |
| O | C | doub | 1.22Å | 1.24Å | |
| C | O1 | sing | 1.35Å | 1.32Å | |
| C | C1 | sing | 1.46Å | 1.49Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C1 | N | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.37Å | Aromatic |
| N | C10 | sing | 1.36Å | 1.40Å | Aromatic |
| N | S | sing | 1.66Å | 1.71Å | |
| O2 | S | doub | 1.42Å | 1.42Å | |
| S | N1 | sing | 1.66Å | 1.63Å | |
| S | O3 | doub | 1.42Å | 1.42Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H | sing | 0.97Å | 0.95Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C6 | C7 | 118.3° | 119.9° |
| F | C6 | C5 | 118.4° | 119.9° |
| C7 | C6 | C5 | 123.3° | 120.2° |
| C6 | C7 | C8 | 118.1° | 120.1° |
| C6 | C7 | H3 | 120.9° | 120.0° |
| C6 | C5 | C4 | 118.2° | 120.1° |
| C6 | C5 | H2 | 120.9° | 120.0° |
| C7 | C8 | C3 | 120.8° | 119.9° |
| C8 | C7 | H3 | 121.0° | 119.9° |
| C7 | C8 | H4 | 119.5° | 120.1° |
| C5 | C4 | C3 | 120.8° | 119.9° |
| C5 | C4 | H1 | 119.6° | 120.0° |
| C4 | C5 | H2 | 120.9° | 119.9° |
| C8 | C3 | C4 | 118.8° | 119.8° |
| C8 | C3 | C2 | 120.5° | 120.1° |
| C3 | C8 | H4 | 119.6° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C3 | C4 | H1 | 119.6° | 120.1° |
| C3 | C2 | C1 | 128.7° | 126.6° |
| C3 | C2 | C9 | 123.4° | 126.6° |
| O | C | O1 | 123.3° | 120.0° |
| O | C | C1 | 120.2° | 120.0° |
| O1 | C | C1 | 116.4° | 120.0° |
| C | O1 | H | 109.5° | 114.0° |
| C | C1 | C2 | 125.9° | 126.4° |
| C | C1 | N | 126.5° | 126.3° |
| C1 | C2 | C9 | 107.8° | 106.8° |
| C2 | C1 | N | 107.7° | 107.3° |
| C2 | C9 | C10 | 107.5° | 107.9° |
| C2 | C9 | H5 | 126.3° | 126.1° |
| C1 | N | C10 | 107.5° | 108.9° |
| C1 | N | S | 126.3° | 125.6° |
| C9 | C10 | N | 109.4° | 109.2° |
| C9 | C10 | H6 | 125.3° | 125.4° |
| C10 | C9 | H5 | 126.3° | 126.1° |
| C10 | N | S | 125.5° | 125.5° |
| N | C10 | H6 | 125.3° | 125.4° |
| N | S | O2 | 103.8° | 106.4° |
| N | S | N1 | 107.9° | 107.2° |
| N | S | O3 | 104.9° | 106.4° |
| O2 | S | N1 | 111.2° | 106.4° |
| O2 | S | O3 | 116.7° | 123.2° |
| N1 | S | O3 | 111.5° | 106.4° |
| S | N1 | H7 | 109.5° | 120.0° |
| S | N1 | H8 | 109.4° | 120.0° |
| H7 | N1 | H8 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C6 | C7 | C5 | 179.7° | 179.7° |
| F | C6 | C7 | C8 | 179.6° | 180.0° |
| F | C6 | C5 | C4 | 179.7° | 179.8° |
| F | C6 | C5 | H2 | 0.3° | 0.3° |
| F | C6 | C7 | H3 | 0.4° | 0.2° |
| C6 | C7 | C8 | H3 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C6 | C7 | C8 | C3 | 0.3° | 0.5° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | H4 | 179.7° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.1° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | H3 | 179.9° | 179.9° |
| C7 | C8 | C3 | H4 | 180.0° | 179.6° |
| C7 | C8 | C3 | C4 | 0.3° | 0.5° |
| C7 | C8 | C3 | C2 | 177.1° | 179.8° |
| C5 | C4 | C3 | C8 | 0.2° | 0.3° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 177.2° | 180.0° |
| C8 | C3 | C4 | C2 | 177.4° | 179.7° |
| C8 | C3 | C2 | C1 | 58.8° | 50.3° |
| C8 | C3 | C2 | C9 | 124.8° | 129.8° |
| C8 | C3 | C4 | H1 | 179.8° | 179.8° |
| C3 | C8 | C7 | H3 | 179.8° | 179.7° |
| C4 | C3 | C2 | C1 | 118.6° | 130.0° |
| C4 | C3 | C2 | C9 | 57.9° | 50.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C4 | C3 | C8 | H4 | 179.7° | 180.0° |
| C3 | C2 | C1 | C | 4.9° | 0.2° |
| C3 | C2 | C1 | C9 | 176.9° | 179.9° |
| C3 | C2 | C1 | N | 175.1° | 180.0° |
| C3 | C2 | C9 | C10 | 176.5° | 180.0° |
| C2 | C3 | C4 | H1 | 2.8° | 0.1° |
| C2 | C3 | C8 | H4 | 2.9° | 0.2° |
| C3 | C2 | C9 | H5 | 3.4° | 0.0° |
| O | C | O1 | C1 | 179.4° | 180.0° |
| O | C | C1 | C2 | 46.3° | 0.2° |
| O | C | C1 | N | 133.8° | 180.0° |
| O | C | O1 | H | 0.0° | 0.0° |
| O1 | C | C1 | C2 | 133.2° | 179.7° |
| O1 | C | C1 | N | 46.8° | 0.1° |
| C | C1 | C2 | N | 180.0° | 179.8° |
| C | C1 | C2 | C9 | 178.2° | 179.8° |
| C | C1 | N | C10 | 177.6° | 179.8° |
| C | C1 | N | S | 11.6° | 0.2° |
| C1 | C | O1 | H | 179.4° | 180.0° |
| C1 | C2 | C9 | C10 | 0.5° | 0.0° |
| C2 | C1 | N | C10 | 2.3° | 0.1° |
| C2 | C1 | N | S | 168.5° | 180.0° |
| C1 | C2 | C9 | H5 | 179.5° | 179.9° |
| C9 | C2 | C1 | N | 1.8° | 0.1° |
| C2 | C9 | C10 | H5 | 180.0° | 180.0° |
| C2 | C9 | C10 | N | 0.9° | 0.0° |
| C2 | C9 | C10 | H6 | 179.1° | 180.0° |
| C1 | N | C10 | C9 | 2.0° | 0.1° |
| C1 | N | C10 | S | 170.9° | 179.9° |
| C1 | N | S | O2 | 46.9° | 48.6° |
| C1 | N | S | N1 | 71.1° | 65.0° |
| C1 | N | S | O3 | 169.8° | 178.5° |
| C1 | N | C10 | H6 | 178.0° | 180.0° |
| C9 | C10 | N | H6 | 180.0° | 180.0° |
| C9 | C10 | N | S | 168.9° | 180.0° |
| C10 | N | S | O2 | 122.3° | 131.5° |
| C10 | N | S | N1 | 119.7° | 115.0° |
| C10 | N | S | O3 | 0.6° | 1.4° |
| N | C10 | C9 | H5 | 179.1° | 180.0° |
| N | S | O2 | N1 | 115.7° | 114.1° |
| N | S | O2 | O3 | 114.8° | 123.0° |
| N | S | N1 | O3 | 114.7° | 113.6° |
| S | N | C10 | H6 | 11.1° | 0.0° |
| N | S | N1 | H7 | 180.0° | 179.9° |
| N | S | N1 | H8 | 60.0° | 0.0° |
| O2 | S | N1 | O3 | 132.1° | 132.9° |
| O2 | S | N1 | H7 | 66.8° | 66.4° |
| O2 | S | N1 | H8 | 173.2° | 113.5° |
| S | N1 | H7 | H8 | 120.0° | 179.9° |
| O3 | S | N1 | H7 | 65.3° | 66.5° |
| O3 | S | N1 | H8 | 54.7° | 113.6° |
| H1 | C4 | C5 | H2 | 0.0° | 0.0° |
| H6 | C10 | C9 | H5 | 1.0° | 0.0° |
| H3 | C7 | C8 | H4 | 0.3° | 0.1° |
