F2X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C4 | doub | 1.21Å | 1.20Å | |
C11 | C3 | sing | 1.53Å | 1.52Å | |
C4 | C3 | sing | 1.51Å | 1.50Å | |
C4 | C1 | sing | 1.47Å | 1.47Å | |
C3 | C7 | sing | 1.54Å | 1.53Å | |
C8 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
C8 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.42Å | 1.35Å | Aromatic |
C7 | C5 | sing | 1.51Å | 1.51Å | |
C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C2 | C5 | sing | 1.47Å | 1.46Å | |
C2 | C6 | doub | 1.40Å | 1.35Å | Aromatic |
C5 | O3 | doub | 1.21Å | 1.22Å | |
C9 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
C6 | O1 | sing | 1.36Å | 1.35Å | |
C3 | H1 | sing | 1.09Å | 1.10Å | |
C11 | H2 | sing | 1.09Å | 1.10Å | |
C11 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C4 | C3 | 121.2° | 120.7° |
O2 | C4 | C1 | 116.9° | 120.8° |
C11 | C3 | C4 | 111.1° | 109.6° |
C11 | C3 | C7 | 109.3° | 109.6° |
C11 | C3 | H1 | 107.3° | 109.8° |
C3 | C11 | H2 | 109.5° | 109.5° |
C3 | C11 | H3 | 109.5° | 109.5° |
C3 | C11 | H4 | 109.5° | 109.5° |
C3 | C4 | C1 | 121.9° | 118.5° |
C4 | C3 | C7 | 114.0° | 108.4° |
C4 | C3 | H1 | 107.5° | 109.7° |
C4 | C1 | C8 | 119.5° | 120.9° |
C4 | C1 | C2 | 119.8° | 119.1° |
C3 | C7 | C5 | 111.5° | 108.5° |
C7 | C3 | H1 | 107.2° | 109.7° |
C3 | C7 | H5 | 109.0° | 109.7° |
C3 | C7 | H6 | 109.0° | 109.6° |
C1 | C8 | C10 | 117.9° | 119.8° |
C8 | C1 | C2 | 120.7° | 119.9° |
C1 | C8 | H7 | 121.1° | 120.1° |
C8 | C10 | C9 | 121.2° | 120.7° |
C10 | C8 | H7 | 121.1° | 120.0° |
C8 | C10 | H8 | 119.4° | 119.6° |
C1 | C2 | C5 | 120.4° | 119.4° |
C1 | C2 | C6 | 122.2° | 119.6° |
C7 | C5 | C2 | 123.4° | 118.6° |
C7 | C5 | O3 | 119.8° | 120.7° |
C5 | C7 | H5 | 109.0° | 109.6° |
C5 | C7 | H6 | 108.9° | 109.6° |
C10 | C9 | C6 | 118.5° | 120.5° |
C9 | C10 | H8 | 119.4° | 119.7° |
C10 | C9 | H9 | 120.7° | 119.7° |
C5 | C2 | C6 | 117.3° | 121.0° |
C2 | C5 | O3 | 116.7° | 120.7° |
C2 | C6 | C9 | 119.5° | 119.4° |
C2 | C6 | O1 | 118.7° | 120.2° |
C9 | C6 | O1 | 121.8° | 120.3° |
C6 | C9 | H9 | 120.8° | 119.8° |
C6 | O1 | H10 | 109.5° | 114.0° |
H2 | C11 | H3 | 109.5° | 109.5° |
H2 | C11 | H4 | 109.5° | 109.5° |
H3 | C11 | H4 | 109.4° | 109.4° |
H5 | C7 | H6 | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C4 | C3 | C11 | 30.0° | 14.5° |
O2 | C4 | C3 | C1 | 177.0° | 179.7° |
O2 | C4 | C3 | C7 | 154.1° | 134.2° |
O2 | C4 | C1 | C8 | 9.4° | 16.3° |
O2 | C4 | C1 | C2 | 171.9° | 163.5° |
O2 | C4 | C3 | H1 | 87.2° | 106.1° |
C11 | C3 | C4 | C7 | 124.1° | 119.7° |
C11 | C3 | C4 | H1 | 117.2° | 120.6° |
C11 | C3 | C4 | C1 | 153.0° | 165.9° |
C11 | C3 | C7 | H1 | 116.0° | 120.6° |
C11 | C3 | C7 | C5 | 158.6° | 177.7° |
C3 | C11 | H2 | H3 | 120.0° | 120.0° |
C3 | C11 | H2 | H4 | 120.0° | 120.0° |
C3 | C11 | H3 | H4 | 120.0° | 120.0° |
C11 | C3 | C7 | H5 | 38.3° | 57.9° |
C11 | C3 | C7 | H6 | 81.1° | 62.7° |
C4 | C3 | C7 | H1 | 118.9° | 119.7° |
C3 | C4 | C1 | C8 | 167.7° | 163.4° |
C3 | C4 | C1 | C2 | 11.0° | 16.9° |
C4 | C3 | C7 | C5 | 33.6° | 58.0° |
C4 | C3 | C11 | H2 | 180.0° | 60.0° |
C4 | C3 | C11 | H3 | 60.0° | 179.9° |
C4 | C3 | C11 | H4 | 60.0° | 60.0° |
C4 | C3 | C7 | H5 | 86.8° | 61.7° |
C4 | C3 | C7 | H6 | 153.8° | 177.7° |
C1 | C4 | C3 | C7 | 28.9° | 46.2° |
C4 | C1 | C8 | C2 | 178.7° | 179.8° |
C4 | C1 | C8 | C10 | 179.5° | 180.0° |
C4 | C1 | C2 | C5 | 0.4° | 0.5° |
C4 | C1 | C2 | C6 | 179.1° | 179.9° |
C1 | C4 | C3 | H1 | 89.8° | 73.5° |
C4 | C1 | C8 | H7 | 0.5° | 0.0° |
C3 | C7 | C5 | H5 | 120.3° | 119.7° |
C3 | C7 | C5 | H6 | 120.3° | 119.6° |
C3 | C7 | C5 | C2 | 25.5° | 46.0° |
C3 | C7 | C5 | O3 | 155.4° | 133.9° |
C7 | C3 | C11 | H2 | 53.3° | 179.0° |
C7 | C3 | C11 | H3 | 66.8° | 61.0° |
C7 | C3 | C11 | H4 | 173.3° | 58.9° |
C3 | C7 | H5 | H6 | 119.1° | 120.5° |
C1 | C8 | C10 | H7 | 180.0° | 180.0° |
C1 | C8 | C10 | C9 | 0.7° | 0.1° |
C8 | C1 | C2 | C5 | 179.1° | 179.7° |
C8 | C1 | C2 | C6 | 0.5° | 0.2° |
C1 | C8 | C10 | H8 | 179.3° | 180.0° |
C10 | C8 | C1 | C2 | 0.8° | 0.2° |
C8 | C10 | C9 | H8 | 180.0° | 179.9° |
C8 | C10 | C9 | C6 | 0.2° | 0.2° |
C8 | C10 | C9 | H9 | 179.8° | 180.0° |
C1 | C2 | C5 | C7 | 8.2° | 16.7° |
C1 | C2 | C5 | C6 | 179.6° | 179.5° |
C1 | C2 | C5 | O3 | 172.7° | 163.3° |
C1 | C2 | C6 | C9 | 0.0° | 0.1° |
C1 | C2 | C6 | O1 | 179.4° | 180.0° |
C2 | C1 | C8 | H7 | 179.2° | 179.8° |
C7 | C5 | C2 | O3 | 179.1° | 180.0° |
C7 | C5 | C2 | C6 | 172.3° | 163.8° |
C5 | C7 | C3 | H1 | 85.4° | 61.7° |
C5 | C7 | H5 | H6 | 119.0° | 120.5° |
C10 | C9 | C6 | C2 | 0.2° | 0.2° |
C10 | C9 | C6 | H9 | 180.0° | 179.8° |
C10 | C9 | C6 | O1 | 179.3° | 179.8° |
C9 | C10 | C8 | H7 | 179.3° | 180.0° |
C5 | C2 | C6 | C9 | 179.6° | 179.5° |
C5 | C2 | C6 | O1 | 0.1° | 0.5° |
C2 | C5 | C7 | H5 | 94.8° | 73.7° |
C2 | C5 | C7 | H6 | 145.8° | 165.7° |
C6 | C2 | C5 | O3 | 6.8° | 16.2° |
C2 | C6 | C9 | O1 | 179.5° | 180.0° |
C2 | C6 | C9 | H9 | 179.8° | 180.0° |
C2 | C6 | O1 | H10 | 3.2° | 90.0° |
O3 | C5 | C7 | H5 | 84.3° | 106.3° |
O3 | C5 | C7 | H6 | 35.1° | 14.3° |
C6 | C9 | C10 | H8 | 179.8° | 179.7° |
C9 | C6 | O1 | H10 | 176.3° | 90.0° |
O1 | C6 | C9 | H9 | 0.7° | 0.0° |
H1 | C3 | C11 | H2 | 62.7° | 60.5° |
H1 | C3 | C11 | H3 | 177.3° | 59.5° |
H1 | C3 | C11 | H4 | 57.3° | 179.5° |
H1 | C3 | C7 | H5 | 154.3° | 178.6° |
H1 | C3 | C7 | H6 | 34.9° | 58.0° |
H2 | C11 | H3 | H4 | 120.0° | 120.0° |
H7 | C8 | C10 | H8 | 0.7° | 0.1° |
H8 | C10 | C9 | H9 | 0.2° | 0.1° |