9RH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | O2 | sing | 1.43Å | 1.41Å | |
| C1 | C8 | sing | 1.53Å | 1.50Å | |
| F3 | C8 | sing | 1.40Å | 1.34Å | |
| C8 | F1 | sing | 1.40Å | 1.36Å | |
| C8 | F2 | sing | 1.40Å | 1.35Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C3 | C2 | C1 | 121.2° | 120.0° |
| C3 | C2 | C7 | 118.2° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| O1 | C1 | C2 | 114.3° | 109.5° |
| O1 | C1 | O2 | 112.6° | 109.4° |
| O1 | C1 | C8 | 97.2° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C1 | C2 | C7 | 120.5° | 120.0° |
| C2 | C1 | O2 | 110.7° | 109.5° |
| C2 | C1 | C8 | 110.8° | 109.5° |
| C2 | C7 | C6 | 120.9° | 120.0° |
| C2 | C7 | H7 | 119.5° | 120.0° |
| O2 | C1 | C8 | 110.6° | 109.5° |
| C1 | O2 | H2 | 109.5° | 113.9° |
| C1 | C8 | F3 | 109.6° | 109.5° |
| C1 | C8 | F1 | 110.1° | 109.4° |
| C1 | C8 | F2 | 109.4° | 109.4° |
| F3 | C8 | F1 | 109.1° | 109.5° |
| F3 | C8 | F2 | 108.1° | 109.5° |
| F1 | C8 | F2 | 110.7° | 109.5° |
| C7 | C6 | H6 | 120.0° | 119.9° |
| C6 | C7 | H7 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.0° | 0.0° |
| C4 | C3 | C2 | C1 | 175.7° | 180.0° |
| C4 | C3 | C2 | C7 | 1.9° | 0.3° |
| C3 | C4 | C5 | H5 | 177.0° | 179.9° |
| C5 | C4 | C3 | C2 | 3.5° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.1° | 0.3° |
| C5 | C4 | C3 | H3 | 176.5° | 179.9° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| C3 | C2 | C1 | O1 | 5.7° | 149.7° |
| C3 | C2 | C1 | C7 | 177.6° | 179.7° |
| C3 | C2 | C1 | O2 | 122.7° | 29.8° |
| C3 | C2 | C1 | C8 | 114.3° | 90.3° |
| C3 | C2 | C7 | C6 | 0.1° | 0.6° |
| C2 | C3 | C4 | H4 | 176.5° | 179.9° |
| C3 | C2 | C7 | H7 | 179.9° | 179.8° |
| O1 | C1 | C2 | O2 | 128.4° | 119.9° |
| O1 | C1 | C2 | C8 | 108.6° | 120.0° |
| O1 | C1 | C2 | C7 | 176.7° | 30.0° |
| O1 | C1 | O2 | C8 | 107.5° | 120.0° |
| O1 | C1 | C8 | F3 | 62.3° | 60.0° |
| O1 | C1 | C8 | F1 | 57.6° | 60.0° |
| O1 | C1 | C8 | F2 | 179.4° | 180.0° |
| O1 | C1 | O2 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.5° | 0.6° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C6 | C5 | C4 | H4 | 177.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.5° | 179.8° |
| C2 | C1 | O2 | C8 | 123.2° | 120.0° |
| C2 | C1 | C8 | F3 | 57.1° | 60.0° |
| C2 | C1 | C8 | F1 | 177.1° | 180.0° |
| C2 | C1 | C8 | F2 | 61.1° | 60.0° |
| C1 | C2 | C7 | C6 | 177.7° | 179.7° |
| C2 | C1 | O1 | H1 | 180.0° | 60.0° |
| C2 | C1 | O2 | H2 | 50.7° | 60.0° |
| C1 | C2 | C3 | H3 | 4.3° | 0.1° |
| C1 | C2 | C7 | H7 | 2.3° | 0.0° |
| C7 | C2 | C1 | O2 | 54.9° | 149.9° |
| C7 | C2 | C1 | C8 | 68.1° | 90.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.7° |
| C7 | C2 | C3 | H3 | 178.1° | 179.7° |
| C2 | C7 | C6 | H6 | 179.5° | 179.7° |
| O2 | C1 | C8 | F3 | 179.7° | 180.0° |
| O2 | C1 | C8 | F1 | 59.8° | 60.0° |
| O2 | C1 | C8 | F2 | 62.0° | 60.0° |
| O2 | C1 | O1 | H1 | 52.6° | 180.0° |
| C1 | C8 | F3 | F1 | 120.6° | 120.0° |
| C1 | C8 | F3 | F2 | 119.1° | 120.0° |
| C1 | C8 | F1 | F2 | 121.0° | 120.0° |
| C8 | C1 | O1 | H1 | 63.3° | 60.0° |
| C8 | C1 | O2 | H2 | 72.5° | 60.0° |
| F3 | C8 | F1 | F2 | 118.7° | 120.0° |
| C7 | C6 | C5 | H5 | 178.9° | 179.8° |
| H3 | C3 | C4 | H4 | 3.5° | 0.1° |
| H4 | C4 | C5 | H5 | 3.0° | 0.1° |
| H5 | C5 | C6 | H6 | 1.1° | 0.1° |
| H6 | C6 | C7 | H7 | 0.5° | 0.0° |
