LX7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C7 | sing | 1.40Å | 1.34Å | |
| C7 | F1 | sing | 1.40Å | 1.35Å | |
| C7 | O | sing | 1.43Å | 1.38Å | |
| C7 | F | sing | 1.40Å | 1.37Å | |
| O | C2 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.43Å | |
| N | C6 | sing | 1.35Å | 1.38Å | |
| S | C6 | doub | 1.71Å | 1.66Å | |
| C6 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C7 | F1 | 109.1° | 109.4° |
| F2 | C7 | O | 111.3° | 109.5° |
| F2 | C7 | F | 107.6° | 109.5° |
| F1 | C7 | O | 112.9° | 109.5° |
| F1 | C7 | F | 109.6° | 109.5° |
| O | C7 | F | 106.2° | 109.5° |
| C7 | O | C2 | 114.5° | 117.0° |
| O | C2 | C1 | 116.5° | 120.0° |
| O | C2 | C3 | 119.2° | 120.0° |
| C2 | C1 | C | 118.7° | 120.0° |
| C1 | C2 | C3 | 124.3° | 120.0° |
| C2 | C1 | H6 | 120.6° | 120.0° |
| C1 | C | C5 | 119.2° | 120.0° |
| C1 | C | H5 | 120.4° | 120.0° |
| C | C1 | H6 | 120.7° | 120.0° |
| C2 | C3 | C4 | 117.2° | 120.0° |
| C2 | C3 | H7 | 121.4° | 119.9° |
| C | C5 | C4 | 122.2° | 120.0° |
| C | C5 | N | 117.6° | 120.0° |
| C5 | C | H5 | 120.4° | 120.0° |
| C3 | C4 | C5 | 118.4° | 120.0° |
| C3 | C4 | H3 | 120.8° | 120.0° |
| C4 | C3 | H7 | 121.4° | 120.1° |
| C4 | C5 | N | 120.2° | 120.0° |
| C5 | C4 | H3 | 120.8° | 120.0° |
| C5 | N | C6 | 122.0° | 120.0° |
| C5 | N | H4 | 119.0° | 120.0° |
| N | C6 | S | 125.7° | 120.0° |
| N | C6 | N1 | 115.4° | 120.0° |
| C6 | N | H4 | 119.0° | 120.0° |
| S | C6 | N1 | 118.9° | 120.0° |
| C6 | N1 | H1 | 120.0° | 119.9° |
| C6 | N1 | H2 | 120.0° | 120.1° |
| H1 | N1 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C7 | F1 | O | 124.3° | 120.0° |
| F2 | C7 | F1 | F | 117.6° | 120.0° |
| F2 | C7 | O | F | 116.9° | 120.0° |
| F2 | C7 | O | C2 | 166.6° | 180.0° |
| F1 | C7 | O | F | 120.1° | 120.0° |
| F1 | C7 | O | C2 | 43.5° | 60.1° |
| C7 | O | C2 | C1 | 108.4° | 180.0° |
| C7 | O | C2 | C3 | 73.9° | 0.2° |
| F | C7 | O | C2 | 76.5° | 59.9° |
| O | C2 | C1 | C3 | 177.6° | 179.8° |
| O | C2 | C1 | C | 176.1° | 180.0° |
| O | C2 | C3 | C4 | 176.1° | 179.7° |
| O | C2 | C1 | H6 | 3.9° | 0.2° |
| O | C2 | C3 | H7 | 3.9° | 0.1° |
| C2 | C1 | C | H6 | 180.0° | 179.7° |
| C2 | C1 | C | C5 | 0.4° | 0.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.5° |
| C2 | C1 | C | H5 | 179.6° | 180.0° |
| C1 | C2 | C3 | H7 | 178.5° | 179.7° |
| C | C1 | C2 | C3 | 1.5° | 0.2° |
| C1 | C | C5 | H5 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 0.7° | 0.0° |
| C1 | C | C5 | N | 180.0° | 180.0° |
| C2 | C3 | C4 | H7 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C2 | C3 | C4 | H3 | 179.7° | 179.7° |
| C3 | C2 | C1 | H6 | 178.4° | 180.0° |
| C | C5 | C4 | C3 | 0.7° | 0.3° |
| C | C5 | C4 | N | 179.4° | 179.9° |
| C | C5 | N | C6 | 111.9° | 45.4° |
| C | C5 | C4 | H3 | 179.3° | 180.0° |
| C | C5 | N | H4 | 68.1° | 134.6° |
| C5 | C | C1 | H6 | 179.5° | 179.7° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | N | 179.9° | 179.7° |
| C4 | C5 | N | C6 | 67.5° | 134.5° |
| C4 | C5 | N | H4 | 112.5° | 45.5° |
| C4 | C5 | C | H5 | 179.3° | 180.0° |
| C5 | C4 | C3 | H7 | 179.7° | 179.7° |
| C5 | N | C6 | H4 | 180.0° | 180.0° |
| C5 | N | C6 | S | 2.2° | 4.2° |
| C5 | N | C6 | N1 | 179.9° | 175.7° |
| N | C5 | C4 | H3 | 0.0° | 0.1° |
| N | C5 | C | H5 | 0.0° | 0.0° |
| N | C6 | S | N1 | 177.9° | 180.0° |
| N | C6 | N1 | H1 | 178.1° | 0.0° |
| N | C6 | N1 | H2 | 1.9° | 179.7° |
| S | C6 | N1 | H1 | 0.0° | 180.0° |
| S | C6 | N1 | H2 | 180.0° | 0.3° |
| S | C6 | N | H4 | 177.8° | 175.8° |
| C6 | N1 | H1 | H2 | 180.0° | 179.8° |
| N1 | C6 | N | H4 | 0.1° | 4.2° |
| H3 | C4 | C3 | H7 | 0.4° | 0.0° |
| H5 | C | C1 | H6 | 0.5° | 0.3° |
