FP2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
C1 | O | sing | 1.36Å | 1.37Å | |
C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C2 | F | sing | 1.35Å | 1.31Å | |
C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
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 | |
O | HO | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 116.7° | 119.9° |
C2 | C1 | O | 126.9° | 120.1° |
C1 | C2 | C3 | 122.4° | 119.9° |
C1 | C2 | F | 118.6° | 120.0° |
C6 | C1 | O | 116.4° | 120.1° |
C1 | C6 | C5 | 121.8° | 119.9° |
C1 | C6 | H6 | 119.1° | 120.0° |
C1 | O | HO | 109.5° | 114.0° |
C3 | C2 | F | 118.8° | 120.0° |
C2 | C3 | C4 | 119.3° | 120.1° |
C2 | C3 | H3 | 120.3° | 120.0° |
C3 | C4 | C5 | 118.0° | 120.1° |
C4 | C3 | H3 | 120.4° | 120.0° |
C3 | C4 | H4 | 121.0° | 120.0° |
C4 | C5 | C6 | 121.6° | 120.1° |
C5 | C4 | H4 | 121.0° | 119.9° |
C4 | C5 | H5 | 119.2° | 120.0° |
C6 | C5 | H5 | 119.2° | 119.9° |
C5 | C6 | H6 | 119.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | O | 177.4° | 179.7° |
C1 | C2 | C3 | F | 175.6° | 180.0° |
C1 | C2 | C3 | C4 | 3.7° | 0.0° |
C2 | C1 | C6 | C5 | 0.8° | 0.0° |
C1 | C2 | C3 | H3 | 176.4° | 180.0° |
C2 | C1 | C6 | H6 | 179.2° | 180.0° |
C2 | C1 | O | HO | 117.2° | 90.0° |
C6 | C1 | C2 | C3 | 4.0° | 0.0° |
C6 | C1 | C2 | F | 179.5° | 180.0° |
C1 | C6 | C5 | C4 | 2.7° | 0.0° |
C1 | C6 | C5 | H6 | 180.0° | 180.0° |
C1 | C6 | C5 | H5 | 177.3° | 180.0° |
C6 | C1 | O | HO | 65.7° | 90.2° |
O | C1 | C2 | C3 | 179.0° | 179.7° |
O | C1 | C2 | F | 3.4° | 0.3° |
O | C1 | C6 | C5 | 178.2° | 179.7° |
O | C1 | C6 | H6 | 1.8° | 0.3° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.0° |
C2 | C3 | C4 | H4 | 179.9° | 180.0° |
F | C2 | C3 | C4 | 179.2° | 180.0° |
F | C2 | C3 | H3 | 0.8° | 0.1° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 3.0° | 0.0° |
C3 | C4 | C5 | H5 | 177.0° | 180.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C5 | C4 | C3 | H3 | 179.9° | 180.0° |
C4 | C5 | C6 | H6 | 177.3° | 180.0° |
C6 | C5 | C4 | H4 | 177.0° | 180.0° |
H3 | C3 | C4 | H4 | 0.1° | 0.0° |
H4 | C4 | C5 | H5 | 3.0° | 0.0° |
H5 | C5 | C6 | H6 | 2.7° | 0.0° |