F7A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | F1 | sing | 1.40Å | 1.32Å | |
C1 | C2 | sing | 1.51Å | 1.50Å | |
C1 | F2 | sing | 1.40Å | 1.32Å | |
C1 | F3 | sing | 1.40Å | 1.32Å | |
N1 | C8 | sing | 1.35Å | 1.34Å | |
N1 | C9 | sing | 1.40Å | 1.37Å | |
O1 | C8 | doub | 1.22Å | 1.22Å | |
C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
O2 | C11 | sing | 1.36Å | 1.37Å | |
O2 | C15 | sing | 1.36Å | 1.38Å | |
C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
C3 | C8 | sing | 1.48Å | 1.50Å | |
C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
C15 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F1 | C1 | C2 | 111.5° | 109.5° |
F1 | C1 | F2 | 109.5° | 109.5° |
F1 | C1 | F3 | 108.8° | 109.4° |
C2 | C1 | F2 | 108.7° | 109.5° |
C2 | C1 | F3 | 109.0° | 109.5° |
C1 | C2 | C3 | 123.1° | 120.1° |
C1 | C2 | C7 | 117.8° | 120.1° |
F2 | C1 | F3 | 109.4° | 109.4° |
C8 | N1 | C9 | 125.1° | 120.0° |
N1 | C8 | O1 | 123.1° | 120.0° |
N1 | C8 | C3 | 119.6° | 119.9° |
C8 | N1 | HN1 | 117.4° | 120.1° |
N1 | C9 | C10 | 118.1° | 120.0° |
N1 | C9 | C14 | 123.1° | 120.1° |
C9 | N1 | HN1 | 117.4° | 119.9° |
O1 | C8 | C3 | 117.3° | 120.0° |
C3 | C2 | C7 | 119.1° | 119.8° |
C2 | C3 | C4 | 119.9° | 119.7° |
C2 | C3 | C8 | 123.7° | 120.1° |
C2 | C7 | C6 | 120.8° | 120.2° |
C2 | C7 | H7 | 119.6° | 119.9° |
C11 | O2 | C15 | 126.0° | 118.0° |
O2 | C11 | C10 | 118.2° | 120.1° |
O2 | C11 | C12 | 121.7° | 120.0° |
O2 | C15 | C16 | 121.3° | 120.0° |
O2 | C15 | C20 | 118.6° | 120.1° |
C4 | C3 | C8 | 116.4° | 120.2° |
C3 | C4 | C5 | 120.6° | 119.8° |
C3 | C4 | H4 | 119.7° | 120.0° |
C4 | C5 | C6 | 119.6° | 120.2° |
C5 | C4 | H4 | 119.7° | 120.1° |
C4 | C5 | H5 | 120.2° | 119.9° |
C5 | C6 | C7 | 119.9° | 120.3° |
C6 | C5 | H5 | 120.2° | 119.9° |
C5 | C6 | H6 | 120.0° | 119.8° |
C7 | C6 | H6 | 120.0° | 119.9° |
C6 | C7 | H7 | 119.6° | 119.9° |
C10 | C9 | C14 | 118.9° | 119.9° |
C9 | C10 | C11 | 120.6° | 119.9° |
C9 | C10 | H10 | 119.7° | 120.1° |
C9 | C14 | C13 | 120.9° | 120.1° |
C9 | C14 | H14 | 119.5° | 120.0° |
C10 | C11 | C12 | 120.1° | 119.9° |
C11 | C10 | H10 | 119.7° | 120.1° |
C11 | C12 | C13 | 119.9° | 120.1° |
C11 | C12 | H12 | 120.0° | 120.0° |
C12 | C13 | C14 | 119.6° | 120.1° |
C13 | C12 | H12 | 120.1° | 119.9° |
C12 | C13 | H13 | 120.2° | 120.0° |
C14 | C13 | H13 | 120.2° | 119.9° |
C13 | C14 | H14 | 119.5° | 119.9° |
C16 | C15 | C20 | 120.1° | 119.9° |
C15 | C16 | C17 | 119.8° | 119.9° |
C15 | C16 | H16 | 120.1° | 120.0° |
C15 | C20 | C19 | 120.1° | 119.9° |
C15 | C20 | H20 | 119.9° | 120.0° |
C16 | C17 | C18 | 119.8° | 120.1° |
C17 | C16 | H16 | 120.1° | 120.1° |
C16 | C17 | H17 | 120.1° | 119.9° |
C17 | C18 | C19 | 120.5° | 120.1° |
C18 | C17 | H17 | 120.1° | 120.0° |
C17 | C18 | H18 | 119.7° | 120.0° |
C18 | C19 | C20 | 119.6° | 120.1° |
C19 | C18 | H18 | 119.8° | 119.9° |
C18 | C19 | H19 | 120.2° | 120.0° |
C20 | C19 | H19 | 120.2° | 119.9° |
C19 | C20 | H20 | 119.9° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F1 | C1 | C2 | F2 | 120.8° | 120.0° |
F1 | C1 | C2 | F3 | 120.1° | 120.0° |
F1 | C1 | F2 | F3 | 119.1° | 120.0° |
F1 | C1 | C2 | C3 | 33.2° | 180.0° |
F1 | C1 | C2 | C7 | 146.8° | 0.3° |
C2 | C1 | F2 | F3 | 118.9° | 120.0° |
C1 | C2 | C3 | C7 | 179.9° | 179.7° |
C1 | C2 | C3 | C4 | 179.7° | 180.0° |
C1 | C2 | C3 | C8 | 0.6° | 0.0° |
C1 | C2 | C7 | C6 | 180.0° | 179.7° |
C1 | C2 | C7 | H7 | 0.0° | 0.0° |
F2 | C1 | C2 | C3 | 87.6° | 60.0° |
F2 | C1 | C2 | C7 | 92.4° | 120.3° |
F3 | C1 | C2 | C3 | 153.2° | 60.0° |
F3 | C1 | C2 | C7 | 26.7° | 119.7° |
C8 | N1 | C9 | HN1 | 180.0° | 180.0° |
N1 | C8 | O1 | C3 | 178.6° | 180.0° |
N1 | C8 | C3 | C2 | 103.0° | 180.0° |
N1 | C8 | C3 | C4 | 77.8° | 0.0° |
C8 | N1 | C9 | C10 | 179.6° | 35.2° |
C8 | N1 | C9 | C14 | 0.4° | 145.0° |
C9 | N1 | C8 | O1 | 0.6° | 4.0° |
C9 | N1 | C8 | C3 | 179.2° | 175.9° |
N1 | C9 | C10 | C14 | 179.9° | 179.7° |
N1 | C9 | C10 | C11 | 179.7° | 179.9° |
N1 | C9 | C14 | C13 | 179.8° | 179.7° |
N1 | C9 | C10 | H10 | 0.3° | 0.0° |
N1 | C9 | C14 | H14 | 0.1° | 0.1° |
O1 | C8 | C3 | C2 | 78.3° | 0.0° |
O1 | C8 | C3 | C4 | 100.8° | 179.9° |
O1 | C8 | N1 | HN1 | 179.3° | 175.9° |
C2 | C3 | C4 | C8 | 179.1° | 179.9° |
C2 | C3 | C4 | C5 | 0.5° | 0.1° |
C3 | C2 | C7 | C6 | 0.1° | 0.6° |
C2 | C3 | C4 | H4 | 179.5° | 180.0° |
C3 | C2 | C7 | H7 | 179.9° | 179.7° |
C7 | C2 | C3 | C4 | 0.4° | 0.3° |
C7 | C2 | C3 | C8 | 179.5° | 179.7° |
C2 | C7 | C6 | C5 | 0.1° | 0.6° |
C2 | C7 | C6 | H7 | 180.0° | 179.7° |
C2 | C7 | C6 | H6 | 179.9° | 179.6° |
O2 | C11 | C10 | C9 | 179.1° | 180.0° |
O2 | C11 | C10 | C12 | 178.6° | 180.0° |
O2 | C11 | C12 | C13 | 179.2° | 180.0° |
C11 | O2 | C15 | C16 | 51.3° | 66.7° |
C11 | O2 | C15 | C20 | 130.6° | 113.5° |
O2 | C11 | C10 | H10 | 0.8° | 0.1° |
O2 | C11 | C12 | H12 | 0.8° | 0.0° |
C15 | O2 | C11 | C10 | 133.8° | 174.2° |
C15 | O2 | C11 | C12 | 47.6° | 5.8° |
O2 | C15 | C16 | C20 | 178.1° | 179.8° |
O2 | C15 | C16 | C17 | 179.2° | 180.0° |
O2 | C15 | C20 | C19 | 179.2° | 179.7° |
O2 | C15 | C16 | H16 | 0.8° | 0.0° |
O2 | C15 | C20 | H20 | 0.8° | 0.1° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.1° |
C3 | C4 | C5 | H5 | 179.7° | 180.0° |
C8 | C3 | C4 | C5 | 179.6° | 180.0° |
C3 | C8 | N1 | HN1 | 0.8° | 4.1° |
C8 | C3 | C4 | H4 | 0.4° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C4 | C5 | C6 | C7 | 0.0° | 0.3° |
C4 | C5 | C6 | H6 | 180.0° | 179.9° |
C5 | C6 | C7 | H6 | 180.0° | 179.8° |
C6 | C5 | C4 | H4 | 179.7° | 180.0° |
C5 | C6 | C7 | H7 | 179.9° | 179.7° |
C7 | C6 | C5 | H5 | 180.0° | 179.7° |
C9 | C10 | C11 | H10 | 180.0° | 179.9° |
C9 | C10 | C11 | C12 | 0.5° | 0.1° |
C10 | C9 | C14 | C13 | 0.1° | 0.6° |
C10 | C9 | N1 | HN1 | 0.4° | 144.7° |
C10 | C9 | C14 | H14 | 179.9° | 179.7° |
C14 | C9 | C10 | C11 | 0.2° | 0.3° |
C9 | C14 | C13 | C12 | 0.3° | 0.6° |
C9 | C14 | C13 | H14 | 180.0° | 179.7° |
C14 | C9 | N1 | HN1 | 179.5° | 35.0° |
C14 | C9 | C10 | H10 | 179.8° | 179.8° |
C9 | C14 | C13 | H13 | 179.7° | 179.7° |
C10 | C11 | C12 | C13 | 0.7° | 0.1° |
C10 | C11 | C12 | H12 | 179.4° | 180.0° |
C11 | C12 | C13 | H12 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 0.5° | 0.4° |
C12 | C11 | C10 | H10 | 179.5° | 180.0° |
C11 | C12 | C13 | H13 | 179.5° | 180.0° |
C12 | C13 | C14 | H13 | 180.0° | 179.7° |
C12 | C13 | C14 | H14 | 179.8° | 179.7° |
C14 | C13 | C12 | H12 | 179.5° | 179.7° |
C15 | C16 | C17 | H16 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.5° | 0.0° |
C16 | C15 | C20 | C19 | 1.1° | 0.5° |
C15 | C16 | C17 | H17 | 179.5° | 180.0° |
C16 | C15 | C20 | H20 | 178.9° | 179.8° |
C20 | C15 | C16 | C17 | 1.1° | 0.2° |
C15 | C20 | C19 | C18 | 0.5° | 0.5° |
C15 | C20 | C19 | H20 | 180.0° | 179.7° |
C20 | C15 | C16 | H16 | 179.0° | 179.8° |
C15 | C20 | C19 | H19 | 179.5° | 179.7° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.1° | 0.0° |
C16 | C17 | C18 | H18 | 179.9° | 179.9° |
C17 | C18 | C19 | H18 | 180.0° | 179.9° |
C17 | C18 | C19 | C20 | 0.1° | 0.3° |
C18 | C17 | C16 | H16 | 179.5° | 180.0° |
C17 | C18 | C19 | H19 | 179.9° | 179.9° |
C18 | C19 | C20 | H19 | 180.0° | 179.8° |
C19 | C18 | C17 | H17 | 179.9° | 180.0° |
C18 | C19 | C20 | H20 | 179.5° | 179.8° |
C20 | C19 | C18 | H18 | 180.0° | 179.8° |
H4 | C4 | C5 | H5 | 0.3° | 0.0° |
H5 | C5 | C6 | H6 | 0.0° | 0.1° |
H6 | C6 | C7 | H7 | 0.1° | 0.1° |
H12 | C12 | C13 | H13 | 0.5° | 0.0° |
H13 | C13 | C14 | H14 | 0.2° | 0.0° |
H16 | C16 | C17 | H17 | 0.5° | 0.0° |
H17 | C17 | C18 | H18 | 0.1° | 0.1° |
H18 | C18 | C19 | H19 | 0.1° | 0.0° |
H19 | C19 | C20 | H20 | 0.5° | 0.0° |