7SQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C6 | sing | 1.74Å | 1.74Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 1.32Å | Aromatic |
| N2 | N | sing | 1.29Å | 1.36Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | C8 | sing | 1.34Å | 1.36Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.43Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| N | C7 | sing | 1.36Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C8 | C7 | doub | 1.35Å | 1.35Å | Aromatic |
| F2 | C | sing | 1.40Å | 1.31Å | |
| F1 | C | sing | 1.40Å | 1.31Å | |
| C | F | sing | 1.40Å | 1.33Å | |
| C2 | H | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C6 | C5 | 117.8° | 120.0° |
| CL | C6 | C1 | 121.0° | 119.9° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C5 | C4 | C3 | 119.9° | 120.0° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C5 | H2 | 120.0° | 120.0° |
| C5 | C6 | C1 | 121.1° | 120.1° |
| C6 | C5 | H2 | 120.0° | 119.9° |
| C4 | C3 | N | 120.4° | 120.1° |
| C4 | C3 | C2 | 120.2° | 119.9° |
| C3 | C4 | H1 | 120.1° | 120.0° |
| N1 | N2 | N | 106.3° | 110.2° |
| N2 | N1 | C8 | 109.3° | 109.1° |
| N2 | N | C3 | 120.3° | 125.9° |
| N2 | N | C7 | 110.6° | 108.1° |
| C6 | C1 | C2 | 118.6° | 120.1° |
| C6 | C1 | C | 122.3° | 120.0° |
| N1 | C8 | C7 | 108.7° | 106.5° |
| N1 | C8 | H4 | 125.6° | 126.8° |
| N | C3 | C2 | 119.2° | 120.1° |
| C3 | N | C7 | 129.1° | 125.9° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C3 | C2 | H | 119.9° | 120.0° |
| N | C7 | C8 | 105.2° | 106.0° |
| N | C7 | H3 | 127.4° | 127.0° |
| C2 | C1 | C | 116.9° | 120.0° |
| C1 | C2 | H | 119.9° | 120.0° |
| C1 | C | F2 | 112.8° | 109.5° |
| C1 | C | F1 | 112.9° | 109.4° |
| C1 | C | F | 111.9° | 109.5° |
| C8 | C7 | H3 | 127.4° | 127.0° |
| C7 | C8 | H4 | 125.7° | 126.7° |
| F2 | C | F1 | 105.9° | 109.5° |
| F2 | C | F | 105.5° | 109.5° |
| F1 | C | F | 107.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C6 | C5 | C4 | 173.7° | 180.0° |
| CL | C6 | C5 | C1 | 176.3° | 179.8° |
| CL | C6 | C1 | C2 | 174.0° | 179.8° |
| CL | C6 | C1 | C | 23.3° | 0.2° |
| CL | C6 | C5 | H2 | 6.4° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.6° | 0.2° |
| C5 | C4 | C3 | N | 174.1° | 179.9° |
| C5 | C4 | C3 | C2 | 1.9° | 0.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C1 | C2 | 2.2° | 0.5° |
| C5 | C6 | C1 | C | 160.6° | 180.0° |
| C6 | C5 | C4 | H1 | 179.5° | 180.0° |
| C4 | C3 | N | N2 | 4.6° | 179.9° |
| C4 | C3 | N | C2 | 176.1° | 179.9° |
| C4 | C3 | N | C7 | 176.9° | 0.1° |
| C4 | C3 | C2 | C1 | 2.3° | 0.2° |
| C4 | C3 | C2 | H | 177.7° | 180.0° |
| C3 | C4 | C5 | H2 | 179.5° | 180.0° |
| N1 | N2 | N | C3 | 178.7° | 180.0° |
| N1 | N2 | N | C7 | 0.1° | 0.0° |
| N2 | N1 | C8 | C7 | 0.2° | 0.0° |
| N2 | N1 | C8 | H4 | 179.8° | 180.0° |
| N | N2 | N1 | C8 | 0.1° | 0.0° |
| N2 | N | C3 | C7 | 178.5° | 179.9° |
| N2 | N | C3 | C2 | 171.4° | 0.0° |
| N2 | N | C7 | C8 | 0.2° | 0.0° |
| N2 | N | C7 | H3 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.5° |
| C6 | C1 | C2 | C | 163.7° | 179.5° |
| C6 | C1 | C | F2 | 132.2° | 60.0° |
| C6 | C1 | C | F1 | 12.1° | 60.0° |
| C6 | C1 | C | F | 109.0° | 180.0° |
| C6 | C1 | C2 | H | 179.7° | 179.7° |
| C1 | C6 | C5 | H2 | 177.4° | 179.7° |
| N1 | C8 | C7 | N | 0.3° | 0.0° |
| N1 | C8 | C7 | H4 | 180.0° | 179.9° |
| N1 | C8 | C7 | H3 | 179.7° | 180.0° |
| N | C3 | C2 | C1 | 173.7° | 179.9° |
| C3 | N | C7 | C8 | 178.4° | 180.0° |
| N | C3 | C2 | H | 6.3° | 0.1° |
| N | C3 | C4 | H1 | 5.9° | 0.1° |
| C3 | N | C7 | H3 | 1.6° | 0.0° |
| C2 | C3 | N | C7 | 7.1° | 180.0° |
| C3 | C2 | C1 | H | 180.0° | 179.8° |
| C3 | C2 | C1 | C | 163.9° | 180.0° |
| C2 | C3 | C4 | H1 | 178.0° | 180.0° |
| N | C7 | C8 | H3 | 180.0° | 180.0° |
| N | C7 | C8 | H4 | 179.7° | 180.0° |
| C2 | C1 | C | F2 | 64.8° | 120.5° |
| C2 | C1 | C | F1 | 175.1° | 119.5° |
| C2 | C1 | C | F | 54.0° | 0.5° |
| C1 | C | F2 | F1 | 124.0° | 120.0° |
| C1 | C | F2 | F | 122.4° | 120.0° |
| C1 | C | F1 | F | 123.7° | 120.0° |
| C | C1 | C2 | H | 16.1° | 0.2° |
| F2 | C | F1 | F | 112.3° | 120.0° |
| H1 | C4 | C5 | H2 | 0.5° | 0.0° |
| H3 | C7 | C8 | H4 | 0.3° | 0.1° |
