E8V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C10 | sing | 1.36Å | 1.35Å | |
F1 | C9 | sing | 1.35Å | 1.37Å | |
C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
F4 | C14 | sing | 1.35Å | 1.37Å | |
F2 | C11 | sing | 1.35Å | 1.36Å | |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
C13 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
O2 | C15 | sing | 1.36Å | 1.35Å | |
C12 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
C6 | C1 | sing | 1.48Å | 1.49Å | |
C15 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
C5 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
C7 | C4 | sing | 1.48Å | 1.49Å | |
C7 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | F3 | sing | 1.35Å | 1.36Å | |
C2 | N2 | sing | 1.39Å | 1.35Å | |
C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
C3 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
C5 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C12 | H3 | sing | 1.08Å | 1.08Å | |
C13 | H4 | sing | 1.08Å | 1.08Å | |
N2 | H5 | sing | 0.97Å | 1.00Å | |
N2 | H6 | sing | 0.97Å | 1.00Å | |
C3 | H7 | sing | 1.08Å | 1.08Å | |
C17 | H8 | sing | 1.08Å | 1.08Å | |
O1 | H9 | sing | 0.97Å | 0.95Å | |
O2 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C10 | C9 | 120.2° | 119.9° |
O1 | C10 | C11 | 122.4° | 119.9° |
C10 | O1 | H9 | 109.5° | 114.0° |
F1 | C9 | C10 | 119.8° | 120.0° |
F1 | C9 | C8 | 118.5° | 120.0° |
C9 | C10 | C11 | 117.4° | 120.1° |
C10 | C9 | C8 | 121.7° | 120.0° |
C10 | C11 | F2 | 119.4° | 120.0° |
C10 | C11 | C12 | 121.9° | 120.0° |
C9 | C8 | C6 | 120.2° | 120.0° |
C9 | C8 | H2 | 119.9° | 120.0° |
F4 | C14 | C13 | 119.8° | 120.0° |
F4 | C14 | C15 | 118.5° | 120.0° |
F2 | C11 | C12 | 118.7° | 120.0° |
C11 | C12 | C6 | 119.6° | 120.0° |
C11 | C12 | H3 | 120.2° | 120.0° |
C8 | C6 | C12 | 119.1° | 119.9° |
C8 | C6 | C1 | 119.6° | 120.1° |
C6 | C8 | H2 | 119.9° | 120.0° |
C13 | C14 | C15 | 121.7° | 120.0° |
C14 | C13 | C7 | 120.7° | 120.0° |
C14 | C13 | H4 | 119.6° | 120.0° |
C14 | C15 | O2 | 121.1° | 119.9° |
C14 | C15 | C16 | 117.2° | 120.1° |
C13 | C7 | C4 | 121.1° | 120.1° |
C13 | C7 | C17 | 117.7° | 119.9° |
C7 | C13 | H4 | 119.7° | 120.0° |
O2 | C15 | C16 | 121.7° | 119.9° |
C15 | O2 | H10 | 109.5° | 114.0° |
C12 | C6 | C1 | 121.2° | 120.1° |
C6 | C12 | H3 | 120.2° | 120.0° |
C6 | C1 | C5 | 118.3° | 120.5° |
C6 | C1 | C2 | 122.9° | 120.5° |
C15 | C16 | C17 | 122.6° | 120.0° |
C15 | C16 | F3 | 118.2° | 120.0° |
C1 | C5 | C4 | 120.9° | 118.3° |
C5 | C1 | C2 | 118.8° | 119.0° |
C1 | C5 | H1 | 119.6° | 120.9° |
C5 | C4 | C7 | 120.8° | 120.4° |
C5 | C4 | C3 | 115.7° | 119.2° |
C4 | C5 | H1 | 119.5° | 120.9° |
C1 | C2 | N2 | 122.4° | 119.7° |
C1 | C2 | N1 | 120.8° | 120.7° |
C4 | C7 | C17 | 120.9° | 120.0° |
C7 | C4 | C3 | 123.2° | 120.4° |
C7 | C17 | C16 | 120.1° | 120.0° |
C7 | C17 | H8 | 119.9° | 120.0° |
C4 | C3 | N1 | 125.5° | 121.0° |
C4 | C3 | H7 | 117.3° | 119.5° |
C17 | C16 | F3 | 119.1° | 120.0° |
C16 | C17 | H8 | 120.0° | 120.0° |
N2 | C2 | N1 | 116.8° | 119.6° |
C2 | N2 | H5 | 109.5° | 120.0° |
C2 | N2 | H6 | 109.5° | 120.0° |
C2 | N1 | C3 | 118.3° | 121.9° |
N1 | C3 | H7 | 117.3° | 119.5° |
H5 | N2 | H6 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C10 | C9 | F1 | 0.4° | 0.1° |
O1 | C10 | C9 | C11 | 178.5° | 179.9° |
O1 | C10 | C9 | C8 | 179.0° | 180.0° |
O1 | C10 | C11 | F2 | 0.4° | 0.2° |
O1 | C10 | C11 | C12 | 179.4° | 179.8° |
F1 | C9 | C10 | C8 | 178.6° | 179.9° |
F1 | C9 | C10 | C11 | 178.1° | 180.0° |
F1 | C9 | C8 | C6 | 179.6° | 180.0° |
F1 | C9 | C8 | H2 | 0.4° | 0.0° |
C9 | C10 | C11 | F2 | 178.8° | 179.7° |
C9 | C10 | C11 | C12 | 0.9° | 0.1° |
C10 | C9 | C8 | C6 | 1.0° | 0.1° |
C10 | C9 | C8 | H2 | 179.0° | 180.0° |
C9 | C10 | O1 | H9 | 180.0° | 89.9° |
C11 | C10 | C9 | C8 | 0.5° | 0.1° |
C10 | C11 | F2 | C12 | 179.8° | 179.6° |
C10 | C11 | C12 | C6 | 0.1° | 0.4° |
C10 | C11 | C12 | H3 | 179.8° | 180.0° |
C11 | C10 | O1 | H9 | 1.6° | 90.0° |
C9 | C8 | C6 | H2 | 180.0° | 180.0° |
C9 | C8 | C6 | C12 | 2.1° | 0.2° |
C9 | C8 | C6 | C1 | 178.9° | 179.9° |
F4 | C14 | C13 | C15 | 180.0° | 179.7° |
F4 | C14 | C13 | C7 | 179.7° | 179.7° |
F4 | C14 | C15 | O2 | 1.0° | 0.3° |
F4 | C14 | C15 | C16 | 178.4° | 179.7° |
F4 | C14 | C13 | H4 | 0.3° | 0.3° |
F2 | C11 | C12 | C6 | 179.9° | 180.0° |
F2 | C11 | C12 | H3 | 0.1° | 0.4° |
C11 | C12 | C6 | C8 | 1.7° | 0.4° |
C11 | C12 | C6 | H3 | 180.0° | 179.6° |
C11 | C12 | C6 | C1 | 178.4° | 179.8° |
C8 | C6 | C12 | C1 | 176.7° | 179.7° |
C8 | C6 | C1 | C5 | 54.5° | 130.0° |
C8 | C6 | C1 | C2 | 126.5° | 50.0° |
C8 | C6 | C12 | H3 | 178.3° | 180.0° |
C14 | C13 | C7 | H4 | 180.0° | 180.0° |
C13 | C14 | C15 | O2 | 178.9° | 180.0° |
C13 | C14 | C15 | C16 | 1.6° | 0.0° |
C14 | C13 | C7 | C4 | 176.2° | 180.0° |
C14 | C13 | C7 | C17 | 3.1° | 0.0° |
C15 | C14 | C13 | C7 | 0.3° | 0.0° |
C14 | C15 | O2 | C16 | 177.3° | 180.0° |
C14 | C15 | C16 | C17 | 0.5° | 0.0° |
C14 | C15 | C16 | F3 | 177.0° | 180.0° |
C15 | C14 | C13 | H4 | 179.7° | 180.0° |
C14 | C15 | O2 | H10 | 180.0° | 90.0° |
C13 | C7 | C4 | C5 | 9.0° | 0.2° |
C13 | C7 | C4 | C17 | 172.9° | 180.0° |
C13 | C7 | C4 | C3 | 176.8° | 180.0° |
C13 | C7 | C17 | C16 | 4.1° | 0.0° |
C13 | C7 | C17 | H8 | 175.9° | 180.0° |
O2 | C15 | C16 | C17 | 177.9° | 180.0° |
O2 | C15 | C16 | F3 | 0.4° | 0.0° |
C12 | C6 | C1 | C5 | 122.1° | 50.3° |
C12 | C6 | C1 | C2 | 56.9° | 129.8° |
C12 | C6 | C8 | H2 | 177.9° | 179.8° |
C6 | C1 | C5 | C2 | 179.1° | 179.9° |
C6 | C1 | C5 | C4 | 179.6° | 180.0° |
C6 | C1 | C2 | N2 | 0.9° | 0.0° |
C6 | C1 | C2 | N1 | 179.1° | 180.0° |
C6 | C1 | C5 | H1 | 0.4° | 0.1° |
C1 | C6 | C8 | H2 | 1.2° | 0.0° |
C1 | C6 | C12 | H3 | 1.6° | 0.2° |
C15 | C16 | C17 | C7 | 2.3° | 0.0° |
C15 | C16 | C17 | F3 | 177.5° | 179.9° |
C15 | C16 | C17 | H8 | 177.7° | 180.0° |
C16 | C15 | O2 | H10 | 2.7° | 90.0° |
C1 | C5 | C4 | H1 | 180.0° | 179.9° |
C1 | C5 | C4 | C7 | 176.8° | 179.7° |
C1 | C5 | C4 | C3 | 2.2° | 0.1° |
C5 | C1 | C2 | N2 | 179.9° | 180.0° |
C5 | C1 | C2 | N1 | 0.1° | 0.0° |
C4 | C5 | C1 | C2 | 1.4° | 0.0° |
C5 | C4 | C7 | C3 | 174.1° | 179.8° |
C5 | C4 | C7 | C17 | 163.8° | 179.8° |
C5 | C4 | C3 | N1 | 2.1° | 0.1° |
C5 | C4 | C3 | H7 | 177.9° | 180.0° |
C1 | C2 | N2 | N1 | 180.0° | 180.0° |
C1 | C2 | N1 | C3 | 0.2° | 0.0° |
C2 | C1 | C5 | H1 | 178.7° | 180.0° |
C1 | C2 | N2 | H5 | 180.0° | 0.0° |
C1 | C2 | N2 | H6 | 60.0° | 180.0° |
C4 | C7 | C17 | C16 | 177.2° | 179.9° |
C7 | C4 | C3 | N1 | 176.5° | 179.7° |
C7 | C4 | C5 | H1 | 3.2° | 0.2° |
C4 | C7 | C13 | H4 | 3.8° | 0.1° |
C7 | C4 | C3 | H7 | 3.5° | 0.2° |
C4 | C7 | C17 | H8 | 2.8° | 0.0° |
C17 | C7 | C4 | C3 | 10.3° | 0.0° |
C7 | C17 | C16 | H8 | 180.0° | 179.9° |
C7 | C17 | C16 | F3 | 179.9° | 180.0° |
C17 | C7 | C13 | H4 | 176.9° | 180.0° |
C4 | C3 | N1 | C2 | 0.9° | 0.0° |
C4 | C3 | N1 | H7 | 180.0° | 179.9° |
C3 | C4 | C5 | H1 | 177.8° | 180.0° |
F3 | C16 | C17 | H8 | 0.1° | 0.1° |
N2 | C2 | N1 | C3 | 179.9° | 180.0° |
C2 | N2 | H5 | H6 | 120.0° | 180.0° |
N1 | C2 | N2 | H5 | 0.0° | 180.0° |
N1 | C2 | N2 | H6 | 120.0° | 0.0° |
C2 | N1 | C3 | H7 | 179.1° | 180.0° |