24B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F2 | C2 | sing | 1.35Å | 1.32Å | |
F4 | C4 | sing | 1.35Å | 1.32Å | |
O1 | C7 | sing | 1.43Å | 1.43Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C1 | C2 | doub | 1.38Å | 1.47Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | C7 | sing | 1.51Å | 1.51Å | |
C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F2 | C2 | C1 | 115.6° | 120.0° |
F2 | C2 | C3 | 122.1° | 120.0° |
F4 | C4 | C3 | 117.9° | 120.0° |
F4 | C4 | C5 | 119.2° | 120.0° |
C7 | O1 | HO1 | 109.2° | 106.8° |
O1 | C7 | C1 | 109.1° | 109.5° |
O1 | C7 | H71 | 112.3° | 109.4° |
O1 | C7 | H72 | 112.4° | 109.4° |
C2 | C1 | C6 | 118.1° | 120.0° |
C2 | C1 | C7 | 119.5° | 120.0° |
C1 | C2 | C3 | 122.3° | 120.0° |
C6 | C1 | C7 | 122.4° | 119.9° |
C1 | C6 | C5 | 119.1° | 120.0° |
C1 | C6 | H6 | 120.5° | 120.0° |
C1 | C7 | H71 | 112.3° | 109.4° |
C1 | C7 | H72 | 112.3° | 109.5° |
C2 | C3 | C4 | 117.1° | 119.9° |
C2 | C3 | H3 | 120.9° | 120.0° |
C4 | C3 | H3 | 122.0° | 120.1° |
C3 | C4 | C5 | 122.9° | 120.0° |
C4 | C5 | C6 | 120.6° | 120.0° |
C4 | C5 | H5 | 119.6° | 120.0° |
C6 | C5 | H5 | 119.7° | 120.0° |
C5 | C6 | H6 | 120.4° | 120.0° |
H71 | C7 | H72 | 98.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F2 | C2 | C1 | C3 | 178.8° | 179.5° |
F2 | C2 | C1 | C6 | 179.6° | 180.0° |
F2 | C2 | C1 | C7 | 0.2° | 0.2° |
F2 | C2 | C3 | C4 | 179.6° | 180.0° |
F2 | C2 | C3 | H3 | 0.4° | 0.2° |
F4 | C4 | C3 | C2 | 179.1° | 179.8° |
F4 | C4 | C3 | C5 | 179.8° | 180.0° |
F4 | C4 | C3 | H3 | 0.9° | 0.0° |
F4 | C4 | C5 | C6 | 179.4° | 180.0° |
F4 | C4 | C5 | H5 | 0.7° | 0.0° |
O1 | C7 | C1 | C2 | 97.9° | 179.7° |
O1 | C7 | C1 | C6 | 81.4° | 0.0° |
O1 | C7 | C1 | H71 | 125.3° | 120.0° |
O1 | C7 | C1 | H72 | 125.3° | 120.0° |
O1 | C7 | H71 | H72 | 118.3° | 119.9° |
HO1 | O1 | C7 | C1 | 180.0° | 180.0° |
HO1 | O1 | C7 | H71 | 54.7° | 60.0° |
HO1 | O1 | C7 | H72 | 54.7° | 60.0° |
C2 | C1 | C6 | C7 | 179.3° | 179.8° |
C1 | C2 | C3 | C4 | 0.8° | 0.5° |
C1 | C2 | C3 | H3 | 179.1° | 179.7° |
C2 | C1 | C6 | C5 | 0.5° | 0.3° |
C2 | C1 | C6 | H6 | 179.6° | 179.7° |
C2 | C1 | C7 | H71 | 27.4° | 59.8° |
C2 | C1 | C7 | H72 | 136.9° | 60.3° |
C6 | C1 | C2 | C3 | 0.7° | 0.5° |
C1 | C6 | C5 | C4 | 0.4° | 0.0° |
C1 | C6 | C5 | H6 | 180.0° | 180.0° |
C1 | C6 | C5 | H5 | 179.6° | 180.0° |
C6 | C1 | C7 | H71 | 153.3° | 120.0° |
C6 | C1 | C7 | H72 | 43.9° | 120.0° |
C7 | C1 | C2 | C3 | 178.6° | 179.7° |
C7 | C1 | C6 | C5 | 178.8° | 180.0° |
C7 | C1 | C6 | H6 | 1.1° | 0.0° |
C1 | C7 | H71 | H72 | 118.2° | 120.0° |
C2 | C3 | C4 | H3 | 180.0° | 179.8° |
C2 | C3 | C4 | C5 | 0.7° | 0.3° |
C3 | C4 | C5 | C6 | 0.5° | 0.0° |
C3 | C4 | C5 | H5 | 179.5° | 180.0° |
H3 | C3 | C4 | C5 | 179.3° | 179.9° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 179.7° | 180.0° |
H5 | C5 | C6 | H6 | 0.3° | 0.0° |