6SN
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 | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | CL | sing | 1.74Å | 1.73Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.47Å | |
| N1 | C6 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| N | C8 | doub | 1.31Å | 1.33Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.33Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C1 | 119.1° | 119.9° |
| CL1 | C2 | C3 | 121.1° | 119.9° |
| C2 | C1 | C | 119.9° | 120.2° |
| C1 | C2 | C3 | 119.8° | 120.2° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C | C5 | 120.4° | 119.9° |
| C | C1 | H1 | 120.0° | 119.9° |
| C1 | C | H4 | 119.8° | 120.1° |
| C2 | C3 | CL | 121.3° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C | C5 | C4 | 119.3° | 119.7° |
| C | C5 | C6 | 121.7° | 120.2° |
| C5 | C | H4 | 119.8° | 120.0° |
| CL | C3 | C4 | 118.5° | 119.9° |
| C3 | C4 | C5 | 120.3° | 119.8° |
| C3 | C4 | H3 | 119.9° | 120.1° |
| C4 | C5 | C6 | 119.1° | 120.1° |
| C5 | C4 | H3 | 119.8° | 120.0° |
| C5 | C6 | N1 | 124.7° | 126.3° |
| C5 | C6 | C7 | 128.6° | 126.2° |
| C6 | N1 | N | 111.9° | 107.9° |
| N1 | C6 | C7 | 106.7° | 107.5° |
| C6 | N1 | H5 | 124.0° | 126.1° |
| N1 | N | C8 | 104.0° | 108.5° |
| N | N1 | H5 | 124.1° | 126.1° |
| C6 | C7 | C8 | 104.8° | 107.8° |
| C6 | C7 | H2 | 127.6° | 126.1° |
| N | C8 | C7 | 112.6° | 108.4° |
| N | C8 | N2 | 123.7° | 125.8° |
| C7 | C8 | N2 | 123.7° | 125.8° |
| C8 | C7 | H2 | 127.6° | 126.1° |
| C8 | N2 | H6 | 109.5° | 120.0° |
| C8 | N2 | H7 | 109.5° | 120.0° |
| H6 | N2 | H7 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C1 | C3 | 179.7° | 180.0° |
| CL1 | C2 | C1 | C | 179.6° | 180.0° |
| CL1 | C2 | C3 | CL | 0.4° | 0.0° |
| CL1 | C2 | C3 | C4 | 179.9° | 180.0° |
| CL1 | C2 | C1 | H1 | 0.4° | 0.3° |
| C2 | C1 | C | H1 | 180.0° | 179.7° |
| C2 | C1 | C | C5 | 0.9° | 0.0° |
| C1 | C2 | C3 | CL | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C | H4 | 179.1° | 179.9° |
| C | C1 | C2 | C3 | 0.7° | 0.0° |
| C1 | C | C5 | H4 | 180.0° | 179.9° |
| C1 | C | C5 | C4 | 0.8° | 0.0° |
| C1 | C | C5 | C6 | 179.9° | 180.0° |
| C2 | C3 | CL | C4 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 179.3° | 179.7° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C | C5 | C4 | C3 | 0.5° | 0.0° |
| C | C5 | C4 | C6 | 179.4° | 180.0° |
| C | C5 | C6 | N1 | 27.8° | 179.9° |
| C | C5 | C6 | C7 | 152.3° | 0.1° |
| C5 | C | C1 | H1 | 179.1° | 179.7° |
| C | C5 | C4 | H3 | 179.5° | 179.9° |
| CL | C3 | C4 | C5 | 179.9° | 180.0° |
| CL | C3 | C4 | H3 | 0.1° | 0.1° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | C5 | C6 | N1 | 152.8° | 0.1° |
| C4 | C5 | C6 | C7 | 27.1° | 179.9° |
| C4 | C5 | C | H4 | 179.2° | 179.9° |
| C5 | C6 | N1 | C7 | 179.9° | 179.9° |
| C5 | C6 | N1 | N | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 180.0° | 179.9° |
| C5 | C6 | C7 | H2 | 0.0° | 0.4° |
| C6 | C5 | C4 | H3 | 0.1° | 0.1° |
| C6 | C5 | C | H4 | 0.1° | 0.1° |
| C5 | C6 | N1 | H5 | 0.1° | 0.1° |
| C6 | N1 | N | H5 | 180.0° | 179.8° |
| C6 | N1 | N | C8 | 0.2° | 0.3° |
| N1 | C6 | C7 | C8 | 0.1° | 0.0° |
| N1 | C6 | C7 | H2 | 179.9° | 179.7° |
| N | N1 | C6 | C7 | 0.2° | 0.2° |
| N1 | N | C8 | C7 | 0.2° | 0.4° |
| N1 | N | C8 | N2 | 179.9° | 179.6° |
| C6 | C7 | C8 | N | 0.0° | 0.2° |
| C6 | C7 | C8 | H2 | 180.0° | 179.7° |
| C6 | C7 | C8 | N2 | 180.0° | 179.7° |
| C7 | C6 | N1 | H5 | 179.8° | 180.0° |
| N | C8 | C7 | N2 | 180.0° | 180.0° |
| N | C8 | C7 | H2 | 180.0° | 179.9° |
| C8 | N | N1 | H5 | 179.8° | 179.9° |
| N | C8 | N2 | H6 | 0.0° | 180.0° |
| N | C8 | N2 | H7 | 120.0° | 0.0° |
| C7 | C8 | N2 | H6 | 180.0° | 0.1° |
| C7 | C8 | N2 | H7 | 60.0° | 180.0° |
| N2 | C8 | C7 | H2 | 0.0° | 0.1° |
| C8 | N2 | H6 | H7 | 120.0° | 179.9° |
| H1 | C1 | C | H4 | 0.9° | 0.2° |
