K2P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C7 | sing | 1.40Å | 1.35Å | |
| F1 | C7 | sing | 1.40Å | 1.32Å | |
| C7 | O2 | sing | 1.43Å | 1.39Å | |
| C7 | F2 | sing | 1.40Å | 1.34Å | |
| O2 | C6 | sing | 1.36Å | 1.39Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C | doub | 1.22Å | 1.23Å | |
| C1 | C | sing | 1.47Å | 1.55Å | |
| C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C | O1 | sing | 1.35Å | 1.26Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C7 | F1 | 104.2° | 109.5° |
| F | C7 | O2 | 104.0° | 109.5° |
| F | C7 | F2 | 108.7° | 109.5° |
| F1 | C7 | O2 | 111.2° | 109.5° |
| F1 | C7 | F2 | 109.9° | 109.5° |
| O2 | C7 | F2 | 117.8° | 109.5° |
| C7 | O2 | C6 | 122.3° | 117.0° |
| O2 | C6 | C5 | 116.8° | 120.1° |
| O2 | C6 | C1 | 120.1° | 120.2° |
| C5 | C6 | C1 | 122.6° | 119.7° |
| C6 | C5 | C4 | 118.9° | 120.1° |
| C6 | C5 | H2 | 120.6° | 120.0° |
| C6 | C1 | C | 123.5° | 120.2° |
| C6 | C1 | C2 | 116.6° | 119.6° |
| C5 | C4 | C3 | 120.1° | 120.4° |
| C5 | C4 | H1 | 120.0° | 119.8° |
| C4 | C5 | H2 | 120.6° | 120.0° |
| O | C | C1 | 114.8° | 120.0° |
| O | C | O1 | 125.1° | 120.0° |
| C | C1 | C2 | 119.8° | 120.2° |
| C1 | C | O1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 121.7° | 119.9° |
| C1 | C2 | H3 | 119.2° | 120.1° |
| C | O1 | H5 | 109.5° | 117.0° |
| C4 | C3 | C2 | 120.0° | 120.3° |
| C3 | C4 | H1 | 120.0° | 119.8° |
| C4 | C3 | H4 | 120.0° | 119.9° |
| C3 | C2 | H3 | 119.1° | 120.0° |
| C2 | C3 | H4 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C7 | F1 | O2 | 111.4° | 120.0° |
| F | C7 | F1 | F2 | 116.3° | 120.0° |
| F | C7 | O2 | F2 | 120.4° | 120.0° |
| F | C7 | O2 | C6 | 174.2° | 60.0° |
| F1 | C7 | O2 | F2 | 128.1° | 120.0° |
| F1 | C7 | O2 | C6 | 74.3° | 180.0° |
| C7 | O2 | C6 | C5 | 77.5° | 0.0° |
| C7 | O2 | C6 | C1 | 110.1° | 180.0° |
| F2 | C7 | O2 | C6 | 53.8° | 60.0° |
| O2 | C6 | C5 | C1 | 172.2° | 180.0° |
| O2 | C6 | C5 | C4 | 169.8° | 180.0° |
| O2 | C6 | C1 | C | 17.0° | 0.0° |
| O2 | C6 | C1 | C2 | 166.9° | 180.0° |
| O2 | C6 | C5 | H2 | 10.2° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 171.1° | 180.0° |
| C5 | C6 | C1 | C2 | 5.0° | 0.0° |
| C6 | C5 | C4 | C3 | 1.2° | 0.0° |
| C6 | C5 | C4 | H1 | 178.9° | 179.7° |
| C1 | C6 | C5 | C4 | 2.4° | 0.0° |
| C6 | C1 | C | O | 131.4° | 0.1° |
| C6 | C1 | C | C2 | 176.0° | 180.0° |
| C6 | C1 | C | O1 | 49.5° | 180.0° |
| C6 | C1 | C2 | C3 | 4.4° | 0.0° |
| C1 | C6 | C5 | H2 | 177.6° | 180.0° |
| C6 | C1 | C2 | H3 | 175.7° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 1.8° | 0.0° |
| C5 | C4 | C3 | H4 | 178.2° | 179.8° |
| O | C | C1 | O1 | 179.1° | 179.9° |
| O | C | C1 | C2 | 52.5° | 179.9° |
| O | C | O1 | H5 | 0.0° | 0.1° |
| C | C1 | C2 | C3 | 172.0° | 180.0° |
| C | C1 | C2 | H3 | 8.0° | 0.1° |
| C1 | C | O1 | H5 | 179.0° | 180.0° |
| C2 | C1 | C | O1 | 126.6° | 0.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C1 | C2 | C3 | H4 | 178.9° | 179.8° |
| C4 | C3 | C2 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | H2 | 178.8° | 180.0° |
| C4 | C3 | C2 | H3 | 178.9° | 179.9° |
| C2 | C3 | C4 | H1 | 178.3° | 179.7° |
| H1 | C4 | C5 | H2 | 1.1° | 0.3° |
| H1 | C4 | C3 | H4 | 1.8° | 0.1° |
| H3 | C2 | C3 | H4 | 1.1° | 0.3° |
