F2V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F3 | C16 | sing | 1.40Å | 1.33Å | |
F1 | C16 | sing | 1.40Å | 1.33Å | |
C16 | F2 | sing | 1.40Å | 1.32Å | |
C16 | C15 | sing | 1.51Å | 1.50Å | |
C17 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C14 | CL1 | sing | 1.74Å | 1.74Å | |
C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | N4 | sing | 1.40Å | 1.40Å | |
C11 | N4 | sing | 1.49Å | 1.46Å | |
C11 | C10 | sing | 1.55Å | 1.52Å | |
N4 | C19 | sing | 1.49Å | 1.46Å | |
C10 | C8 | sing | 1.53Å | 1.53Å | |
C19 | C8 | sing | 1.53Å | 1.54Å | |
C8 | C7 | sing | 1.54Å | 1.55Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C7 | C6 | sing | 1.55Å | 1.50Å | |
C6 | N3 | sing | 1.49Å | 1.46Å | |
C9 | N3 | sing | 1.48Å | 1.46Å | |
N3 | C5 | sing | 1.39Å | 1.35Å | |
C1 | N1 | sing | 1.46Å | 1.46Å | |
C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
C5 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
N1 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
N1 | C2 | sing | 1.35Å | 1.37Å | Aromatic |
C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
N5 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | N2 | doub | 1.30Å | 1.32Å | Aromatic |
C20 | N6 | sing | 1.31Å | 1.32Å | Aromatic |
C3 | N2 | sing | 1.35Å | 1.38Å | Aromatic |
C3 | N6 | doub | 1.34Å | 1.35Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C13 | H15 | sing | 1.08Å | 1.08Å | |
C17 | H16 | sing | 1.08Å | 1.08Å | |
C18 | H17 | sing | 1.08Å | 1.08Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F3 | C16 | F1 | 106.6° | 109.5° |
F3 | C16 | F2 | 105.4° | 109.5° |
F3 | C16 | C15 | 112.4° | 109.5° |
F1 | C16 | F2 | 106.0° | 109.4° |
F1 | C16 | C15 | 113.3° | 109.5° |
F2 | C16 | C15 | 112.6° | 109.5° |
C16 | C15 | C17 | 120.5° | 119.9° |
C16 | C15 | C14 | 121.7° | 119.9° |
C15 | C17 | C18 | 121.4° | 120.1° |
C17 | C15 | C14 | 117.9° | 120.2° |
C15 | C17 | H16 | 119.3° | 120.0° |
C17 | C18 | C12 | 119.7° | 119.9° |
C18 | C17 | H16 | 119.3° | 120.0° |
C17 | C18 | H17 | 120.2° | 120.0° |
C15 | C14 | CL1 | 120.4° | 120.0° |
C15 | C14 | C13 | 122.0° | 120.1° |
C18 | C12 | C13 | 119.5° | 119.9° |
C18 | C12 | N4 | 120.1° | 120.0° |
C12 | C18 | H17 | 120.2° | 120.0° |
CL1 | C14 | C13 | 117.6° | 120.0° |
C14 | C13 | C12 | 119.5° | 119.9° |
C14 | C13 | H15 | 120.2° | 120.1° |
C13 | C12 | N4 | 120.3° | 120.1° |
C12 | C13 | H15 | 120.2° | 120.0° |
C12 | N4 | C11 | 123.6° | 111.0° |
C12 | N4 | C19 | 124.3° | 111.0° |
N4 | C11 | C10 | 103.1° | 104.6° |
C11 | N4 | C19 | 112.0° | 104.4° |
N4 | C11 | H13 | 111.0° | 110.4° |
N4 | C11 | H14 | 111.1° | 110.4° |
C11 | C10 | C8 | 100.5° | 104.7° |
C11 | C10 | H11 | 111.7° | 110.4° |
C11 | C10 | H12 | 111.7° | 110.6° |
C10 | C11 | H13 | 111.1° | 110.4° |
C10 | C11 | H14 | 111.1° | 110.4° |
N4 | C19 | C8 | 99.1° | 104.3° |
N4 | C19 | H18 | 112.0° | 110.5° |
N4 | C19 | H19 | 112.0° | 110.5° |
C10 | C8 | C19 | 100.8° | 106.1° |
C10 | C8 | C7 | 106.1° | 111.0° |
C10 | C8 | C9 | 126.1° | 111.4° |
C8 | C10 | H11 | 111.7° | 110.4° |
C8 | C10 | H12 | 111.7° | 110.3° |
C19 | C8 | C7 | 98.0° | 111.0° |
C19 | C8 | C9 | 124.5° | 111.3° |
C8 | C19 | H18 | 112.0° | 110.5° |
C8 | C19 | H19 | 112.0° | 110.4° |
C7 | C8 | C9 | 95.6° | 106.1° |
C8 | C7 | C6 | 104.0° | 102.7° |
C8 | C7 | H7 | 110.8° | 110.8° |
C8 | C7 | H8 | 110.8° | 111.0° |
C8 | C9 | N3 | 105.2° | 106.7° |
C8 | C9 | H9 | 110.5° | 110.0° |
C8 | C9 | H10 | 110.5° | 110.0° |
C7 | C6 | N3 | 100.8° | 103.3° |
C7 | C6 | H5 | 111.6° | 110.6° |
C7 | C6 | H6 | 111.6° | 110.8° |
C6 | C7 | H7 | 110.8° | 110.7° |
C6 | C7 | H8 | 110.8° | 110.8° |
C6 | N3 | C9 | 110.6° | 105.9° |
C6 | N3 | C5 | 126.7° | 111.0° |
N3 | C6 | H5 | 111.6° | 110.7° |
N3 | C6 | H6 | 111.6° | 110.7° |
C9 | N3 | C5 | 122.4° | 111.0° |
N3 | C9 | H9 | 110.5° | 110.0° |
N3 | C9 | H10 | 110.5° | 110.0° |
N3 | C5 | C4 | 127.7° | 120.7° |
N3 | C5 | N5 | 114.4° | 120.8° |
C1 | N1 | C4 | 129.5° | 126.4° |
C1 | N1 | C2 | 125.4° | 126.4° |
N1 | C1 | H1 | 109.5° | 109.5° |
N1 | C1 | H2 | 109.5° | 109.5° |
N1 | C1 | H3 | 109.5° | 109.5° |
C4 | C5 | N5 | 117.9° | 118.5° |
C5 | C4 | N1 | 136.8° | 135.3° |
C5 | C4 | C3 | 117.2° | 118.6° |
C5 | N5 | C20 | 119.7° | 121.1° |
C4 | N1 | C2 | 105.2° | 107.2° |
N1 | C4 | C3 | 105.9° | 106.1° |
N1 | C2 | N2 | 114.5° | 110.1° |
N1 | C2 | H4 | 122.7° | 124.9° |
C4 | C3 | N2 | 110.4° | 106.9° |
C4 | C3 | N6 | 123.9° | 118.6° |
N5 | C20 | N6 | 127.2° | 122.5° |
N5 | C20 | H20 | 116.4° | 118.8° |
C2 | N2 | C3 | 104.0° | 109.8° |
N2 | C2 | H4 | 122.8° | 125.0° |
C20 | N6 | C3 | 114.0° | 120.6° |
N6 | C20 | H20 | 116.4° | 118.7° |
N2 | C3 | N6 | 125.7° | 134.5° |
H1 | C1 | H2 | 109.5° | 109.5° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.4° |
H5 | C6 | H6 | 109.5° | 110.5° |
H7 | C7 | H8 | 109.5° | 110.7° |
H9 | C9 | H10 | 109.5° | 110.0° |
H11 | C10 | H12 | 109.5° | 110.4° |
H13 | C11 | H14 | 109.5° | 110.5° |
H18 | C19 | H19 | 109.5° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F3 | C16 | F1 | F2 | 111.9° | 120.0° |
F3 | C16 | F1 | C15 | 124.1° | 120.0° |
F3 | C16 | F2 | C15 | 122.9° | 120.0° |
F3 | C16 | C15 | C17 | 106.8° | 120.0° |
F3 | C16 | C15 | C14 | 72.6° | 60.0° |
F1 | C16 | F2 | C15 | 124.3° | 120.0° |
F1 | C16 | C15 | C17 | 14.1° | 120.0° |
F1 | C16 | C15 | C14 | 166.5° | 60.0° |
F2 | C16 | C15 | C17 | 134.3° | 0.0° |
F2 | C16 | C15 | C14 | 46.3° | 180.0° |
C16 | C15 | C17 | C14 | 179.4° | 180.0° |
C16 | C15 | C17 | C18 | 179.6° | 179.7° |
C16 | C15 | C14 | CL1 | 0.6° | 0.0° |
C16 | C15 | C14 | C13 | 179.7° | 179.9° |
C16 | C15 | C17 | H16 | 0.3° | 0.0° |
C15 | C17 | C18 | H16 | 180.0° | 179.7° |
C15 | C17 | C18 | C12 | 0.0° | 0.6° |
C17 | C15 | C14 | CL1 | 180.0° | 180.0° |
C17 | C15 | C14 | C13 | 0.3° | 0.1° |
C15 | C17 | C18 | H17 | 180.0° | 180.0° |
C18 | C17 | C15 | C14 | 0.2° | 0.3° |
C17 | C18 | C12 | H17 | 180.0° | 179.4° |
C17 | C18 | C12 | C13 | 0.2° | 0.6° |
C17 | C18 | C12 | N4 | 178.8° | 179.8° |
C15 | C14 | CL1 | C13 | 179.8° | 180.0° |
C15 | C14 | C13 | C12 | 0.0° | 0.1° |
C15 | C14 | C13 | H15 | 180.0° | 179.9° |
C14 | C15 | C17 | H16 | 179.7° | 180.0° |
C18 | C12 | C13 | C14 | 0.2° | 0.4° |
C18 | C12 | C13 | N4 | 178.6° | 179.6° |
C18 | C12 | N4 | C11 | 0.4° | 119.8° |
C18 | C12 | N4 | C19 | 177.4° | 4.2° |
C18 | C12 | C13 | H15 | 179.7° | 179.8° |
C12 | C18 | C17 | H16 | 180.0° | 179.8° |
CL1 | C14 | C13 | C12 | 179.8° | 180.0° |
CL1 | C14 | C13 | H15 | 0.2° | 0.1° |
C14 | C13 | C12 | H15 | 180.0° | 179.9° |
C14 | C13 | C12 | N4 | 178.8° | 180.0° |
C13 | C12 | N4 | C11 | 179.0° | 59.8° |
C13 | C12 | N4 | C19 | 1.2° | 175.4° |
C13 | C12 | C18 | H17 | 179.8° | 180.0° |
C12 | N4 | C11 | C19 | 178.0° | 119.6° |
C12 | N4 | C11 | C10 | 172.7° | 158.6° |
C12 | N4 | C19 | C8 | 157.6° | 158.2° |
C12 | N4 | C11 | H13 | 68.3° | 82.7° |
C12 | N4 | C11 | H14 | 53.7° | 39.8° |
N4 | C12 | C13 | H15 | 1.2° | 0.2° |
N4 | C12 | C18 | H17 | 1.2° | 0.4° |
C12 | N4 | C19 | H18 | 84.1° | 39.5° |
C12 | N4 | C19 | H19 | 39.3° | 83.1° |
N4 | C11 | C10 | H13 | 119.0° | 118.8° |
N4 | C11 | C10 | H14 | 119.0° | 118.8° |
N4 | C11 | C10 | C8 | 33.0° | 23.7° |
C11 | N4 | C19 | C8 | 24.4° | 38.6° |
N4 | C11 | C10 | H11 | 151.5° | 95.1° |
N4 | C11 | C10 | H12 | 85.5° | 142.5° |
N4 | C11 | H13 | H14 | 123.0° | 122.4° |
C11 | N4 | C19 | H18 | 93.9° | 80.1° |
C11 | N4 | C19 | H19 | 142.7° | 157.3° |
C10 | C11 | N4 | C19 | 5.3° | 38.9° |
C11 | C10 | C8 | H11 | 118.5° | 118.8° |
C11 | C10 | C8 | H12 | 118.5° | 119.0° |
C11 | C10 | C8 | C19 | 48.4° | 0.2° |
C11 | C10 | C8 | C7 | 150.1° | 120.9° |
C11 | C10 | C8 | C9 | 100.3° | 121.0° |
C11 | C10 | H11 | H12 | 124.2° | 122.6° |
C10 | C11 | H13 | H14 | 123.0° | 122.4° |
N4 | C19 | C8 | C10 | 44.1° | 23.2° |
N4 | C19 | C8 | H18 | 118.3° | 118.8° |
N4 | C19 | C8 | H19 | 118.3° | 118.7° |
N4 | C19 | C8 | C7 | 152.3° | 97.5° |
N4 | C19 | C8 | C9 | 105.2° | 144.6° |
C19 | N4 | C11 | H13 | 113.7° | 157.7° |
C19 | N4 | C11 | H14 | 124.3° | 79.9° |
N4 | C19 | H18 | H19 | 124.8° | 122.6° |
C10 | C8 | C19 | C7 | 108.2° | 120.7° |
C10 | C8 | C19 | C9 | 149.3° | 121.3° |
C10 | C8 | C7 | C9 | 130.2° | 121.2° |
C10 | C8 | C7 | C6 | 82.1° | 142.6° |
C10 | C8 | C9 | N3 | 78.0° | 119.6° |
C10 | C8 | C7 | H7 | 37.0° | 99.1° |
C10 | C8 | C7 | H8 | 158.8° | 24.2° |
C10 | C8 | C9 | H9 | 162.7° | 0.3° |
C10 | C8 | C9 | H10 | 41.4° | 121.1° |
C8 | C10 | H11 | H12 | 124.2° | 122.2° |
C8 | C10 | C11 | H13 | 85.9° | 142.4° |
C8 | C10 | C11 | H14 | 152.0° | 95.1° |
C10 | C8 | C19 | H18 | 74.2° | 95.5° |
C10 | C8 | C19 | H19 | 162.3° | 141.9° |
C19 | C8 | C7 | C9 | 126.1° | 121.0° |
C19 | C8 | C7 | C6 | 174.2° | 99.6° |
C19 | C8 | C9 | N3 | 140.4° | 122.2° |
C19 | C8 | C7 | H7 | 66.7° | 18.6° |
C19 | C8 | C7 | H8 | 55.0° | 142.0° |
C19 | C8 | C9 | H9 | 21.1° | 118.5° |
C19 | C8 | C9 | H10 | 100.3° | 2.9° |
C19 | C8 | C10 | H11 | 166.9° | 118.6° |
C19 | C8 | C10 | H12 | 70.2° | 119.2° |
C8 | C19 | H18 | H19 | 124.8° | 122.5° |
C8 | C7 | C6 | H7 | 119.1° | 118.3° |
C8 | C7 | C6 | H8 | 119.1° | 118.5° |
C8 | C7 | C6 | N3 | 41.4° | 36.6° |
C7 | C8 | C9 | N3 | 36.7° | 1.4° |
C8 | C7 | C6 | H5 | 77.2° | 81.9° |
C8 | C7 | C6 | H6 | 160.0° | 155.2° |
C8 | C7 | H7 | H8 | 122.5° | 123.5° |
C7 | C8 | C9 | H9 | 82.7° | 120.7° |
C7 | C8 | C9 | H10 | 156.0° | 117.9° |
C7 | C8 | C10 | H11 | 91.4° | 2.1° |
C7 | C8 | C10 | H12 | 31.5° | 120.1° |
C7 | C8 | C19 | H18 | 34.0° | 143.7° |
C7 | C8 | C19 | H19 | 89.5° | 21.2° |
C9 | C8 | C7 | C6 | 48.1° | 21.4° |
C8 | C9 | N3 | C6 | 13.7° | 25.1° |
C8 | C9 | N3 | H9 | 119.3° | 119.3° |
C8 | C9 | N3 | H10 | 119.3° | 119.3° |
C8 | C9 | N3 | C5 | 172.3° | 145.6° |
C9 | C8 | C7 | H7 | 167.2° | 139.7° |
C9 | C8 | C7 | H8 | 71.0° | 97.0° |
C8 | C9 | H9 | H10 | 122.0° | 121.4° |
C9 | C8 | C10 | H11 | 18.2° | 120.2° |
C9 | C8 | C10 | H12 | 141.2° | 2.1° |
C9 | C8 | C19 | H18 | 136.5° | 25.8° |
C9 | C8 | C19 | H19 | 13.0° | 96.7° |
C7 | C6 | N3 | H5 | 118.6° | 118.4° |
C7 | C6 | N3 | H6 | 118.6° | 118.6° |
C7 | C6 | N3 | C9 | 16.9° | 38.6° |
C7 | C6 | N3 | C5 | 156.7° | 159.1° |
C7 | C6 | H5 | H6 | 124.1° | 123.1° |
C6 | C7 | H7 | H8 | 122.6° | 123.2° |
C6 | N3 | C9 | C5 | 173.9° | 120.5° |
C6 | N3 | C5 | C4 | 26.2° | 116.8° |
C6 | N3 | C5 | N5 | 151.1° | 63.2° |
N3 | C6 | H5 | H6 | 124.0° | 123.0° |
N3 | C6 | C7 | H7 | 160.5° | 154.9° |
N3 | C6 | C7 | H8 | 77.7° | 81.9° |
C6 | N3 | C9 | H9 | 105.6° | 144.4° |
C6 | N3 | C9 | H10 | 133.1° | 94.1° |
C9 | N3 | C5 | C4 | 160.9° | 125.7° |
C9 | N3 | C5 | N5 | 21.8° | 54.2° |
C9 | N3 | C6 | H5 | 101.7° | 79.8° |
C9 | N3 | C6 | H6 | 135.5° | 157.3° |
N3 | C9 | H9 | H10 | 121.9° | 121.4° |
N3 | C5 | C4 | N5 | 177.2° | 179.9° |
N3 | C5 | C4 | N1 | 3.8° | 0.1° |
N3 | C5 | C4 | C3 | 178.6° | 179.8° |
N3 | C5 | N5 | C20 | 178.7° | 179.9° |
C5 | N3 | C6 | H5 | 84.7° | 40.7° |
C5 | N3 | C6 | H6 | 38.1° | 82.2° |
C5 | N3 | C9 | H9 | 68.3° | 95.1° |
C5 | N3 | C9 | H10 | 53.0° | 26.4° |
C1 | N1 | C4 | C5 | 1.8° | 0.1° |
C1 | N1 | C4 | C2 | 179.3° | 179.8° |
C1 | N1 | C4 | C3 | 179.7° | 179.9° |
C1 | N1 | C2 | N2 | 180.0° | 180.0° |
N1 | C1 | H1 | H2 | 120.0° | 120.0° |
N1 | C1 | H1 | H3 | 120.0° | 120.0° |
N1 | C1 | H2 | H3 | 120.0° | 120.0° |
C1 | N1 | C2 | H4 | 0.0° | 0.0° |
C5 | C4 | N1 | C3 | 177.9° | 180.0° |
C5 | C4 | N1 | C2 | 178.9° | 179.7° |
C4 | C5 | N5 | C20 | 1.2° | 0.0° |
C5 | C4 | C3 | N2 | 179.5° | 179.7° |
C5 | C4 | C3 | N6 | 1.1° | 0.1° |
N5 | C5 | C4 | N1 | 179.0° | 179.9° |
N5 | C5 | C4 | C3 | 1.3° | 0.1° |
C5 | N5 | C20 | N6 | 0.7° | 0.4° |
C5 | N5 | C20 | H20 | 179.3° | 180.0° |
C4 | N1 | C2 | N2 | 0.7° | 0.2° |
N1 | C4 | C3 | N2 | 1.1° | 0.3° |
N1 | C4 | C3 | N6 | 179.5° | 179.8° |
C4 | N1 | C1 | H1 | 180.0° | 84.4° |
C4 | N1 | C1 | H2 | 60.0° | 155.6° |
C4 | N1 | C1 | H3 | 60.0° | 35.6° |
C4 | N1 | C2 | H4 | 179.3° | 179.8° |
C2 | N1 | C4 | C3 | 1.1° | 0.3° |
N1 | C2 | N2 | H4 | 180.0° | 180.0° |
N1 | C2 | N2 | C3 | 0.0° | 0.0° |
C2 | N1 | C1 | H1 | 0.8° | 95.4° |
C2 | N1 | C1 | H2 | 120.8° | 24.7° |
C2 | N1 | C1 | H3 | 119.2° | 144.6° |
C4 | C3 | N2 | C2 | 0.7° | 0.2° |
C4 | C3 | N6 | C20 | 0.6° | 0.5° |
C4 | C3 | N2 | N6 | 179.4° | 179.8° |
N5 | C20 | N6 | H20 | 180.0° | 179.7° |
N5 | C20 | N6 | C3 | 0.4° | 0.6° |
C2 | N2 | C3 | N6 | 179.9° | 180.0° |
C20 | N6 | C3 | N2 | 180.0° | 179.3° |
C3 | N2 | C2 | H4 | 180.0° | 180.0° |
C3 | N6 | C20 | H20 | 179.6° | 179.7° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H5 | C6 | C7 | H7 | 41.9° | 36.4° |
H5 | C6 | C7 | H8 | 163.7° | 159.6° |
H6 | C6 | C7 | H7 | 80.9° | 86.5° |
H6 | C6 | C7 | H8 | 40.9° | 36.7° |
H11 | C10 | C11 | H13 | 32.6° | 23.7° |
H11 | C10 | C11 | H14 | 89.5° | 146.1° |
H12 | C10 | C11 | H13 | 155.5° | 98.8° |
H12 | C10 | C11 | H14 | 33.5° | 23.7° |
H16 | C17 | C18 | H17 | 0.0° | 0.3° |