FBF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C3 | sing | 1.51Å | 1.54Å | |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C7 | sing | 1.48Å | 1.51Å | |
N8 | C7 | doub | 1.30Å | 1.34Å | |
C7 | N9 | sing | 1.38Å | 1.28Å | |
N8 | HN8 | sing | 0.97Å | 1.00Å | |
N9 | HN9 | sing | 0.97Å | 1.00Å | |
N9 | HN9A | sing | 0.97Å | 1.00Å | |
F13 | C10 | sing | 1.40Å | 1.34Å | |
C10 | F12 | sing | 1.40Å | 1.36Å | |
C10 | F11 | sing | 1.40Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C1 | C2 | 117.7° | 119.8° |
C6 | C1 | H1 | 121.2° | 120.1° |
C1 | C6 | C5 | 120.0° | 119.7° |
C1 | C6 | C7 | 120.5° | 120.1° |
C2 | C1 | H1 | 121.1° | 120.1° |
C1 | C2 | C3 | 121.6° | 120.1° |
C1 | C2 | H2 | 119.2° | 119.9° |
C3 | C2 | H2 | 119.2° | 120.0° |
C2 | C3 | C4 | 120.2° | 120.3° |
C2 | C3 | C10 | 122.0° | 119.9° |
C4 | C3 | C10 | 117.4° | 119.9° |
C3 | C4 | C5 | 117.3° | 120.1° |
C3 | C4 | H4 | 121.4° | 119.9° |
C3 | C10 | F13 | 109.9° | 109.5° |
C3 | C10 | F12 | 112.3° | 109.5° |
C3 | C10 | F11 | 106.0° | 109.5° |
C5 | C4 | H4 | 121.3° | 119.9° |
C4 | C5 | C6 | 123.1° | 119.9° |
C4 | C5 | H5 | 118.4° | 120.1° |
C6 | C5 | H5 | 118.4° | 120.0° |
C5 | C6 | C7 | 119.5° | 120.2° |
C6 | C7 | N8 | 117.3° | 120.0° |
C6 | C7 | N9 | 119.2° | 120.1° |
N8 | C7 | N9 | 123.4° | 120.0° |
C7 | N8 | HN8 | 112.0° | 120.0° |
C7 | N9 | HN9 | 120.0° | 120.0° |
C7 | N9 | HN9A | 120.0° | 120.1° |
HN9 | N9 | HN9A | 120.0° | 120.0° |
F13 | C10 | F12 | 106.3° | 109.5° |
F13 | C10 | F11 | 113.2° | 109.5° |
F12 | C10 | F11 | 109.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C1 | C2 | H1 | 180.0° | 179.8° |
C6 | C1 | C2 | C3 | 2.9° | 0.2° |
C6 | C1 | C2 | H2 | 177.1° | 179.7° |
C1 | C6 | C5 | C4 | 2.6° | 0.5° |
C1 | C6 | C5 | C7 | 179.6° | 179.5° |
C1 | C6 | C5 | H5 | 177.4° | 179.8° |
C1 | C6 | C7 | N8 | 142.9° | 179.6° |
C1 | C6 | C7 | N9 | 34.2° | 0.5° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 1.6° | 0.0° |
C1 | C2 | C3 | C10 | 175.1° | 180.0° |
C2 | C1 | C6 | C5 | 3.4° | 0.5° |
C2 | C1 | C6 | C7 | 177.0° | 180.0° |
H1 | C1 | C2 | C3 | 177.1° | 180.0° |
H1 | C1 | C2 | H2 | 3.0° | 0.1° |
H1 | C1 | C6 | C5 | 176.6° | 179.7° |
H1 | C1 | C6 | C7 | 3.0° | 0.2° |
C2 | C3 | C4 | C10 | 173.8° | 180.0° |
C2 | C3 | C4 | C5 | 0.6° | 0.0° |
C2 | C3 | C4 | H4 | 179.4° | 180.0° |
C2 | C3 | C10 | F13 | 132.7° | 150.0° |
C2 | C3 | C10 | F12 | 109.2° | 90.0° |
C2 | C3 | C10 | F11 | 10.0° | 30.0° |
H2 | C2 | C3 | C4 | 178.4° | 180.0° |
H2 | C2 | C3 | C10 | 4.9° | 0.1° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 1.2° | 0.2° |
C3 | C4 | C5 | H5 | 178.8° | 180.0° |
C4 | C3 | C10 | F13 | 53.7° | 30.0° |
C4 | C3 | C10 | F12 | 64.5° | 90.0° |
C4 | C3 | C10 | F11 | 176.3° | 150.0° |
C10 | C3 | C4 | C5 | 174.4° | 180.0° |
C10 | C3 | C4 | H4 | 5.6° | 0.0° |
C3 | C10 | F13 | F12 | 121.8° | 120.0° |
C3 | C10 | F13 | F11 | 118.3° | 120.0° |
C3 | C10 | F12 | F11 | 117.3° | 120.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.7° |
C4 | C5 | C6 | C7 | 177.7° | 180.0° |
H4 | C4 | C5 | C6 | 178.8° | 179.7° |
H4 | C4 | C5 | H5 | 1.2° | 0.0° |
C5 | C6 | C7 | N8 | 36.7° | 0.0° |
C5 | C6 | C7 | N9 | 146.1° | 180.0° |
H5 | C5 | C6 | C7 | 2.3° | 0.2° |
C6 | C7 | N8 | N9 | 177.0° | 180.0° |
C6 | C7 | N8 | HN8 | 177.0° | 180.0° |
C6 | C7 | N9 | HN9 | 176.9° | 0.1° |
C6 | C7 | N9 | HN9A | 3.0° | 180.0° |
N8 | C7 | N9 | HN9 | 0.0° | 180.0° |
N8 | C7 | N9 | HN9A | 180.0° | 0.1° |
N9 | C7 | N8 | HN8 | 0.0° | 0.1° |
C7 | N9 | HN9 | HN9A | 180.0° | 179.9° |
F13 | C10 | F12 | F11 | 122.4° | 120.0° |