6SF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | CL | sing | 1.74Å | 1.73Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O | sing | 1.36Å | 1.37Å | |
| O | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| N | H9 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C1 | 119.3° | 120.0° |
| CL1 | C2 | C3 | 120.7° | 120.0° |
| C2 | C1 | C | 120.0° | 120.1° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C | C5 | 119.7° | 120.0° |
| C | C1 | H1 | 120.0° | 120.0° |
| C1 | C | H5 | 120.1° | 120.0° |
| C2 | C3 | CL | 120.9° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C | C5 | C4 | 120.4° | 119.9° |
| C | C5 | O | 117.4° | 120.1° |
| C5 | C | H5 | 120.1° | 120.0° |
| CL | C3 | C4 | 118.6° | 120.0° |
| C3 | C4 | C5 | 119.3° | 120.0° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | O | 122.1° | 120.1° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C5 | O | C6 | 119.1° | 117.0° |
| O | C6 | C7 | 108.0° | 109.5° |
| O | C6 | H6 | 109.8° | 109.5° |
| O | C6 | H7 | 109.8° | 109.5° |
| C6 | C7 | N | 106.7° | 109.4° |
| C6 | C7 | H2 | 110.2° | 109.5° |
| C6 | C7 | H3 | 110.2° | 109.5° |
| C7 | C6 | H6 | 109.8° | 109.5° |
| C7 | C6 | H7 | 109.8° | 109.5° |
| N | C7 | H2 | 110.2° | 109.5° |
| N | C7 | H3 | 110.2° | 109.5° |
| C7 | N | H8 | 109.5° | 111.0° |
| C7 | N | H9 | 109.5° | 111.0° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | N | H9 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C1 | C3 | 179.9° | 180.0° |
| CL1 | C2 | C1 | C | 180.0° | 180.0° |
| CL1 | C2 | C3 | CL | 0.0° | 0.0° |
| CL1 | C2 | C3 | C4 | 179.9° | 180.0° |
| CL1 | C2 | C1 | H1 | 0.0° | 0.3° |
| C2 | C1 | C | H1 | 180.0° | 179.8° |
| C2 | C1 | C | C5 | 0.0° | 0.1° |
| C1 | C2 | C3 | CL | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C | H5 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.1° | 0.1° |
| C1 | C | C5 | H5 | 180.0° | 179.9° |
| C1 | C | C5 | C4 | 0.1° | 0.0° |
| C1 | C | C5 | O | 180.0° | 179.9° |
| C2 | C3 | CL | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C | C5 | C4 | C3 | 0.1° | 0.0° |
| C | C5 | C4 | O | 179.9° | 180.0° |
| C | C5 | O | C6 | 180.0° | 0.0° |
| C5 | C | C1 | H1 | 180.0° | 179.7° |
| C | C5 | C4 | H4 | 179.9° | 180.0° |
| CL | C3 | C4 | C5 | 180.0° | 180.0° |
| CL | C3 | C4 | H4 | 0.0° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O | 180.0° | 180.0° |
| C4 | C5 | O | C6 | 0.1° | 180.0° |
| C4 | C5 | C | H5 | 180.0° | 179.9° |
| C5 | O | C6 | C7 | 179.9° | 179.9° |
| O | C5 | C4 | H4 | 0.0° | 0.0° |
| O | C5 | C | H5 | 0.0° | 0.0° |
| C5 | O | C6 | H6 | 60.2° | 59.9° |
| C5 | O | C6 | H7 | 60.3° | 60.0° |
| O | C6 | C7 | H6 | 119.7° | 120.0° |
| O | C6 | C7 | H7 | 119.8° | 120.1° |
| O | C6 | C7 | N | 53.6° | 65.0° |
| O | C6 | C7 | H2 | 66.0° | 175.0° |
| O | C6 | C7 | H3 | 173.1° | 55.0° |
| O | C6 | H6 | H7 | 120.7° | 120.0° |
| C6 | C7 | N | H2 | 119.6° | 120.0° |
| C6 | C7 | N | H3 | 119.6° | 119.9° |
| C6 | C7 | H2 | H3 | 121.3° | 120.0° |
| C7 | C6 | H6 | H7 | 120.7° | 120.0° |
| C6 | C7 | N | H8 | 180.0° | 180.0° |
| C6 | C7 | N | H9 | 60.0° | 56.1° |
| N | C7 | H2 | H3 | 121.3° | 120.0° |
| N | C7 | C6 | H6 | 173.3° | 175.0° |
| N | C7 | C6 | H7 | 66.2° | 55.1° |
| C7 | N | H8 | H9 | 120.0° | 123.9° |
| H1 | C1 | C | H5 | 0.1° | 0.2° |
| H2 | C7 | C6 | H6 | 53.8° | 55.0° |
| H2 | C7 | C6 | H7 | 174.2° | 65.0° |
| H2 | C7 | N | H8 | 60.4° | 60.0° |
| H2 | C7 | N | H9 | 179.5° | 176.1° |
| H3 | C7 | C6 | H6 | 67.1° | 65.0° |
| H3 | C7 | C6 | H7 | 53.4° | 175.0° |
| H3 | C7 | N | H8 | 60.4° | 60.0° |
| H3 | C7 | N | H9 | 59.6° | 63.9° |
