F8H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
N3 | C7 | sing | 1.40Å | 1.41Å | |
N3 | C6 | sing | 1.35Å | 1.36Å | |
C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.51Å | 1.52Å | |
C5 | N | sing | 1.47Å | 1.46Å | |
C10 | N4 | sing | 1.40Å | 1.40Å | |
C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
N1 | N | sing | 1.29Å | 1.34Å | Aromatic |
N1 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
C6 | O | doub | 1.21Å | 1.23Å | |
N4 | C13 | sing | 1.38Å | 1.36Å | |
C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
F | C19 | sing | 1.35Å | 1.35Å | |
N | C4 | sing | 1.35Å | 1.34Å | Aromatic |
C13 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
C13 | C14 | sing | 1.41Å | 1.45Å | Aromatic |
C19 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
C19 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
N6 | C23 | sing | 1.32Å | 1.34Å | Aromatic |
N2 | C3 | sing | 1.34Å | 1.35Å | Aromatic |
C14 | C15 | sing | 1.42Å | 1.43Å | Aromatic |
C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
C23 | N5 | doub | 1.31Å | 1.31Å | Aromatic |
C4 | C3 | doub | 1.35Å | 1.36Å | Aromatic |
C15 | N5 | sing | 1.34Å | 1.37Å | Aromatic |
C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
C17 | O1 | sing | 1.36Å | 1.37Å | |
C3 | C1 | sing | 1.51Å | 1.53Å | |
O1 | C20 | sing | 1.43Å | 1.44Å | |
C20 | C21 | sing | 1.53Å | 1.49Å | |
C1 | C | sing | 1.53Å | 1.50Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C21 | O2 | sing | 1.43Å | 1.42Å | |
O2 | C22 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C8 | H5 | sing | 1.08Å | 1.08Å | |
C9 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H7 | sing | 1.08Å | 1.08Å | |
C12 | H8 | sing | 1.08Å | 1.08Å | |
C16 | H9 | sing | 1.08Å | 1.08Å | |
C20 | H10 | sing | 1.09Å | 1.10Å | |
C20 | H11 | sing | 1.09Å | 1.10Å | |
C21 | H12 | sing | 1.09Å | 1.10Å | |
C21 | H13 | sing | 1.09Å | 1.10Å | |
C22 | H14 | sing | 1.09Å | 1.10Å | |
C22 | H15 | sing | 1.09Å | 1.10Å | |
C22 | H16 | sing | 1.09Å | 1.10Å | |
C18 | H17 | sing | 1.08Å | 1.08Å | |
C23 | H18 | sing | 1.08Å | 1.08Å | |
N4 | H19 | sing | 0.97Å | 1.00Å | |
N3 | H20 | sing | 0.97Å | 1.00Å | |
C5 | H21 | sing | 1.09Å | 1.10Å | |
C5 | H22 | sing | 1.09Å | 1.10Å | |
C4 | H23 | sing | 1.08Å | 1.08Å | |
C | H24 | sing | 1.09Å | 1.10Å | |
C | H25 | sing | 1.09Å | 1.10Å | |
C | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | C8 | C7 | 120.3° | 120.0° |
C8 | C9 | C10 | 120.4° | 120.0° |
C9 | C8 | H5 | 119.8° | 120.0° |
C8 | C9 | H6 | 119.8° | 120.0° |
C8 | C7 | N3 | 115.5° | 120.0° |
C8 | C7 | C12 | 119.5° | 120.0° |
C7 | C8 | H5 | 119.9° | 120.0° |
C7 | N3 | C6 | 124.3° | 120.0° |
N3 | C7 | C12 | 125.0° | 120.0° |
C7 | N3 | H20 | 117.8° | 120.0° |
N3 | C6 | C5 | 115.2° | 120.0° |
N3 | C6 | O | 123.2° | 120.0° |
C6 | N3 | H20 | 117.9° | 120.0° |
C9 | C10 | N4 | 117.5° | 120.0° |
C9 | C10 | C11 | 119.5° | 119.9° |
C10 | C9 | H6 | 119.8° | 120.0° |
C7 | C12 | C11 | 120.3° | 120.0° |
C7 | C12 | H8 | 119.9° | 120.0° |
C6 | C5 | N | 111.2° | 109.5° |
C5 | C6 | O | 121.5° | 120.0° |
C6 | C5 | H21 | 109.0° | 109.5° |
C6 | C5 | H22 | 109.1° | 109.4° |
C5 | N | N1 | 120.0° | 125.9° |
C5 | N | C4 | 129.4° | 125.8° |
N | C5 | H21 | 109.0° | 109.5° |
N | C5 | H22 | 109.1° | 109.5° |
N4 | C10 | C11 | 123.0° | 120.0° |
C10 | N4 | C13 | 124.7° | 120.0° |
C10 | N4 | H19 | 117.7° | 120.0° |
C10 | C11 | C12 | 120.0° | 120.0° |
C10 | C11 | H7 | 120.0° | 120.0° |
N | N1 | N2 | 106.9° | 110.2° |
N1 | N | C4 | 110.6° | 108.3° |
N1 | N2 | C3 | 109.1° | 108.9° |
N4 | C13 | N6 | 118.7° | 120.9° |
N4 | C13 | C14 | 119.6° | 120.9° |
C13 | N4 | H19 | 117.6° | 120.0° |
C12 | C11 | H7 | 120.0° | 120.0° |
C11 | C12 | H8 | 119.9° | 120.0° |
F | C19 | C14 | 118.0° | 120.1° |
F | C19 | C18 | 118.0° | 120.2° |
N | C4 | C3 | 105.1° | 106.2° |
N | C4 | H23 | 127.5° | 126.9° |
N6 | C13 | C14 | 121.7° | 118.2° |
C13 | N6 | C23 | 117.0° | 121.5° |
C13 | C14 | C19 | 129.0° | 122.0° |
C13 | C14 | C15 | 114.5° | 118.2° |
C14 | C19 | C18 | 124.0° | 119.7° |
C19 | C14 | C15 | 116.6° | 119.8° |
C19 | C18 | C17 | 118.0° | 120.8° |
C19 | C18 | H17 | 121.0° | 119.6° |
N6 | C23 | N5 | 128.8° | 122.9° |
N6 | C23 | H18 | 115.6° | 118.6° |
N2 | C3 | C4 | 108.2° | 106.5° |
N2 | C3 | C1 | 120.7° | 126.7° |
C14 | C15 | N5 | 122.6° | 118.7° |
C14 | C15 | C16 | 119.6° | 119.4° |
C18 | C17 | C16 | 122.1° | 120.9° |
C18 | C17 | O1 | 114.8° | 119.6° |
C17 | C18 | H17 | 121.0° | 119.7° |
C23 | N5 | C15 | 115.4° | 120.5° |
N5 | C23 | H18 | 115.6° | 118.5° |
C4 | C3 | C1 | 131.1° | 126.8° |
C3 | C4 | H23 | 127.5° | 126.9° |
N5 | C15 | C16 | 117.8° | 121.9° |
C15 | C16 | C17 | 119.7° | 119.5° |
C15 | C16 | H9 | 120.1° | 120.2° |
C16 | C17 | O1 | 123.1° | 119.6° |
C17 | C16 | H9 | 120.2° | 120.3° |
C17 | O1 | C20 | 118.3° | 117.0° |
C3 | C1 | C | 110.4° | 109.5° |
C3 | C1 | C2 | 112.5° | 109.5° |
C3 | C1 | H1 | 107.8° | 109.5° |
O1 | C20 | C21 | 109.0° | 109.5° |
O1 | C20 | H10 | 109.6° | 109.5° |
O1 | C20 | H11 | 109.6° | 109.4° |
C20 | C21 | O2 | 108.5° | 109.5° |
C21 | C20 | H10 | 109.6° | 109.5° |
C21 | C20 | H11 | 109.6° | 109.5° |
C20 | C21 | H12 | 109.7° | 109.5° |
C20 | C21 | H13 | 109.7° | 109.4° |
C | C1 | C2 | 110.0° | 109.5° |
C | C1 | H1 | 108.1° | 109.5° |
C1 | C | H24 | 109.5° | 109.5° |
C1 | C | H25 | 109.5° | 109.5° |
C1 | C | H26 | 109.5° | 109.5° |
C2 | C1 | H1 | 107.9° | 109.5° |
C1 | C2 | H2 | 109.5° | 109.5° |
C1 | C2 | H3 | 109.5° | 109.5° |
C1 | C2 | H4 | 109.5° | 109.5° |
C21 | O2 | C22 | 113.2° | 114.0° |
O2 | C21 | H12 | 109.7° | 109.5° |
O2 | C21 | H13 | 109.7° | 109.5° |
O2 | C22 | H14 | 109.5° | 109.5° |
O2 | C22 | H15 | 109.5° | 109.5° |
O2 | C22 | H16 | 109.5° | 109.5° |
H2 | C2 | H3 | 109.5° | 109.4° |
H2 | C2 | H4 | 109.5° | 109.5° |
H3 | C2 | H4 | 109.5° | 109.5° |
H10 | C20 | H11 | 109.4° | 109.5° |
H12 | C21 | H13 | 109.5° | 109.5° |
H14 | C22 | H15 | 109.5° | 109.5° |
H14 | C22 | H16 | 109.5° | 109.4° |
H15 | C22 | H16 | 109.4° | 109.5° |
H21 | C5 | H22 | 109.4° | 109.5° |
H24 | C | H25 | 109.5° | 109.5° |
H24 | C | H26 | 109.5° | 109.5° |
H25 | C | H26 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | C8 | C7 | H5 | 180.0° | 180.0° |
C9 | C8 | C7 | N3 | 179.2° | 179.7° |
C8 | C9 | C10 | H6 | 180.0° | 179.9° |
C9 | C8 | C7 | C12 | 0.8° | 0.1° |
C8 | C9 | C10 | N4 | 179.5° | 180.0° |
C8 | C9 | C10 | C11 | 0.1° | 0.0° |
C8 | C7 | N3 | C12 | 178.3° | 179.8° |
C8 | C7 | N3 | C6 | 129.6° | 36.5° |
C7 | C8 | C9 | C10 | 0.4° | 0.1° |
C8 | C7 | C12 | C11 | 0.6° | 0.0° |
C7 | C8 | C9 | H6 | 179.6° | 180.0° |
C8 | C7 | C12 | H8 | 179.4° | 180.0° |
C8 | C7 | N3 | H20 | 50.4° | 143.5° |
C7 | N3 | C6 | H20 | 180.0° | 180.0° |
C7 | N3 | C6 | C5 | 173.2° | 175.8° |
C7 | N3 | C6 | O | 8.7° | 4.3° |
N3 | C7 | C12 | C11 | 178.9° | 179.8° |
N3 | C7 | C8 | H5 | 0.8° | 0.2° |
N3 | C7 | C12 | H8 | 1.1° | 0.2° |
C6 | N3 | C7 | C12 | 48.7° | 143.7° |
N3 | C6 | C5 | O | 178.1° | 180.0° |
N3 | C6 | C5 | N | 162.2° | 180.0° |
N3 | C6 | C5 | H21 | 77.5° | 60.0° |
N3 | C6 | C5 | H22 | 41.9° | 60.0° |
C9 | C10 | N4 | C11 | 179.4° | 180.0° |
C9 | C10 | N4 | C13 | 60.5° | 146.6° |
C9 | C10 | C11 | C12 | 0.3° | 0.0° |
C10 | C9 | C8 | H5 | 179.6° | 180.0° |
C9 | C10 | C11 | H7 | 179.7° | 179.9° |
C9 | C10 | N4 | H19 | 119.5° | 33.4° |
C7 | C12 | C11 | C10 | 0.1° | 0.0° |
C7 | C12 | C11 | H8 | 180.0° | 180.0° |
C12 | C7 | C8 | H5 | 179.2° | 180.0° |
C7 | C12 | C11 | H7 | 180.0° | 179.9° |
C12 | C7 | N3 | H20 | 131.3° | 36.3° |
C6 | C5 | N | H21 | 120.3° | 120.0° |
C6 | C5 | N | H22 | 120.3° | 120.0° |
C6 | C5 | N | N1 | 113.7° | 54.8° |
C6 | C5 | N | C4 | 65.8° | 125.0° |
C5 | C6 | N3 | H20 | 6.8° | 4.2° |
C6 | C5 | H21 | H22 | 119.2° | 120.0° |
C5 | N | N1 | C4 | 179.6° | 179.8° |
C5 | N | N1 | N2 | 179.7° | 179.8° |
N | C5 | C6 | O | 15.9° | 0.0° |
C5 | N | C4 | C3 | 179.7° | 180.0° |
N | C5 | H21 | H22 | 119.2° | 120.0° |
C5 | N | C4 | H23 | 0.3° | 0.1° |
C10 | N4 | C13 | H19 | 180.0° | 179.9° |
N4 | C10 | C11 | C12 | 179.7° | 180.0° |
C10 | N4 | C13 | N6 | 12.6° | 6.7° |
C10 | N4 | C13 | C14 | 167.2° | 173.3° |
N4 | C10 | C9 | H6 | 0.5° | 0.1° |
N4 | C10 | C11 | H7 | 0.3° | 0.1° |
C11 | C10 | N4 | C13 | 118.8° | 33.5° |
C10 | C11 | C12 | H7 | 180.0° | 179.9° |
C11 | C10 | C9 | H6 | 179.9° | 179.9° |
C10 | C11 | C12 | H8 | 180.0° | 180.0° |
C11 | C10 | N4 | H19 | 61.1° | 146.6° |
N | N1 | N2 | C3 | 0.1° | 0.2° |
N1 | N | C4 | C3 | 0.1° | 0.2° |
N1 | N | C5 | H21 | 126.0° | 174.8° |
N1 | N | C5 | H22 | 6.6° | 65.2° |
N1 | N | C4 | H23 | 179.8° | 179.9° |
N2 | N1 | N | C4 | 0.1° | 0.0° |
N1 | N2 | C3 | C4 | 0.0° | 0.3° |
N1 | N2 | C3 | C1 | 179.9° | 180.0° |
O | C6 | N3 | H20 | 171.3° | 175.7° |
O | C6 | C5 | H21 | 104.3° | 120.0° |
O | C6 | C5 | H22 | 136.2° | 120.0° |
N4 | C13 | N6 | C14 | 179.8° | 180.0° |
N4 | C13 | C14 | C19 | 0.3° | 0.1° |
N4 | C13 | N6 | C23 | 180.0° | 180.0° |
N4 | C13 | C14 | C15 | 180.0° | 180.0° |
F | C19 | C14 | C13 | 0.1° | 0.0° |
F | C19 | C14 | C18 | 179.6° | 180.0° |
F | C19 | C14 | C15 | 179.8° | 180.0° |
F | C19 | C18 | C17 | 179.9° | 180.0° |
F | C19 | C18 | H17 | 0.1° | 0.1° |
N | C4 | C3 | N2 | 0.1° | 0.3° |
N | C4 | C3 | H23 | 180.0° | 180.0° |
N | C4 | C3 | C1 | 179.8° | 180.0° |
C4 | N | C5 | H21 | 54.5° | 4.9° |
C4 | N | C5 | H22 | 173.9° | 115.1° |
N6 | C13 | C14 | C19 | 179.9° | 179.9° |
N6 | C13 | C14 | C15 | 0.2° | 0.0° |
C13 | N6 | C23 | N5 | 0.2° | 0.0° |
C13 | N6 | C23 | H18 | 179.9° | 180.0° |
N6 | C13 | N4 | H19 | 167.4° | 173.2° |
C13 | C14 | C19 | C15 | 179.7° | 179.9° |
C13 | C14 | C19 | C18 | 179.7° | 179.9° |
C14 | C13 | N6 | C23 | 0.2° | 0.0° |
C13 | C14 | C15 | N5 | 0.2° | 0.0° |
C13 | C14 | C15 | C16 | 180.0° | 179.9° |
C14 | C13 | N4 | H19 | 12.8° | 6.8° |
C14 | C19 | C18 | C17 | 0.5° | 0.0° |
C19 | C14 | C15 | N5 | 179.6° | 179.9° |
C19 | C14 | C15 | C16 | 0.3° | 0.0° |
C14 | C19 | C18 | H17 | 179.5° | 179.9° |
C18 | C19 | C14 | C15 | 0.6° | 0.0° |
C19 | C18 | C17 | H17 | 180.0° | 179.9° |
C19 | C18 | C17 | C16 | 0.1° | 0.0° |
C19 | C18 | C17 | O1 | 179.8° | 180.0° |
N6 | C23 | N5 | H18 | 180.0° | 180.0° |
N6 | C23 | N5 | C15 | 0.5° | 0.1° |
N2 | C3 | C4 | C1 | 179.9° | 179.8° |
N2 | C3 | C1 | C | 123.5° | 94.7° |
N2 | C3 | C1 | C2 | 113.3° | 145.3° |
N2 | C3 | C1 | H1 | 5.6° | 25.3° |
N2 | C3 | C4 | H23 | 179.9° | 179.8° |
C14 | C15 | N5 | C23 | 0.5° | 0.0° |
C14 | C15 | N5 | C16 | 179.9° | 179.9° |
C14 | C15 | C16 | C17 | 0.0° | 0.0° |
C14 | C15 | C16 | H9 | 180.0° | 180.0° |
C18 | C17 | C16 | C15 | 0.1° | 0.1° |
C18 | C17 | C16 | O1 | 180.0° | 180.0° |
C18 | C17 | O1 | C20 | 179.8° | 0.0° |
C18 | C17 | C16 | H9 | 179.9° | 180.0° |
C23 | N5 | C15 | C16 | 179.6° | 179.9° |
C4 | C3 | C1 | C | 56.5° | 85.0° |
C4 | C3 | C1 | C2 | 66.8° | 35.0° |
C4 | C3 | C1 | H1 | 174.4° | 155.0° |
N5 | C15 | C16 | C17 | 179.9° | 180.0° |
N5 | C15 | C16 | H9 | 0.1° | 0.1° |
C15 | N5 | C23 | H18 | 179.5° | 180.0° |
C15 | C16 | C17 | H9 | 180.0° | 179.9° |
C15 | C16 | C17 | O1 | 179.9° | 179.9° |
C16 | C17 | O1 | C20 | 0.2° | 180.0° |
C16 | C17 | C18 | H17 | 179.9° | 180.0° |
C17 | O1 | C20 | C21 | 170.4° | 180.0° |
O1 | C17 | C16 | H9 | 0.1° | 0.0° |
C17 | O1 | C20 | H10 | 69.7° | 60.0° |
C17 | O1 | C20 | H11 | 50.4° | 60.1° |
O1 | C17 | C18 | H17 | 0.1° | 0.0° |
C3 | C1 | C | C2 | 124.7° | 120.0° |
C3 | C1 | C | H1 | 117.7° | 120.0° |
C3 | C1 | C2 | H1 | 118.8° | 120.0° |
C3 | C1 | C2 | H2 | 180.0° | 60.0° |
C3 | C1 | C2 | H3 | 60.0° | 60.0° |
C3 | C1 | C2 | H4 | 60.0° | 180.0° |
C1 | C3 | C4 | H23 | 0.2° | 0.0° |
C3 | C1 | C | H24 | 180.0° | 180.0° |
C3 | C1 | C | H25 | 60.0° | 60.0° |
C3 | C1 | C | H26 | 60.0° | 59.9° |
O1 | C20 | C21 | H10 | 119.9° | 120.0° |
O1 | C20 | C21 | H11 | 119.9° | 119.9° |
O1 | C20 | C21 | O2 | 64.5° | 64.9° |
O1 | C20 | H10 | H11 | 120.2° | 120.0° |
O1 | C20 | C21 | H12 | 55.3° | 175.0° |
O1 | C20 | C21 | H13 | 175.7° | 55.0° |
C20 | C21 | O2 | H12 | 119.8° | 120.0° |
C20 | C21 | O2 | H13 | 119.8° | 119.9° |
C20 | C21 | O2 | C22 | 169.1° | 179.9° |
C21 | C20 | H10 | H11 | 120.2° | 120.0° |
C20 | C21 | H12 | H13 | 120.4° | 119.9° |
C | C1 | C2 | H1 | 117.8° | 120.0° |
C | C1 | C2 | H2 | 56.5° | 60.0° |
C | C1 | C2 | H3 | 176.5° | 180.0° |
C | C1 | C2 | H4 | 63.5° | 60.0° |
C1 | C | H24 | H25 | 120.0° | 120.0° |
C1 | C | H24 | H26 | 120.0° | 120.0° |
C1 | C | H25 | H26 | 120.0° | 120.0° |
C1 | C2 | H2 | H3 | 120.0° | 120.0° |
C1 | C2 | H2 | H4 | 120.0° | 120.0° |
C1 | C2 | H3 | H4 | 120.0° | 120.0° |
C2 | C1 | C | H24 | 55.3° | 60.0° |
C2 | C1 | C | H25 | 64.7° | 180.0° |
C2 | C1 | C | H26 | 175.3° | 60.0° |
O2 | C21 | C20 | H10 | 175.5° | 175.0° |
O2 | C21 | C20 | H11 | 55.4° | 55.0° |
O2 | C21 | H12 | H13 | 120.4° | 120.0° |
C21 | O2 | C22 | H14 | 180.0° | 60.0° |
C21 | O2 | C22 | H15 | 60.0° | 60.0° |
C21 | O2 | C22 | H16 | 60.0° | 180.0° |
C22 | O2 | C21 | H12 | 71.1° | 60.0° |
C22 | O2 | C21 | H13 | 49.3° | 60.0° |
O2 | C22 | H14 | H15 | 120.1° | 120.0° |
O2 | C22 | H14 | H16 | 120.0° | 120.0° |
O2 | C22 | H15 | H16 | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 61.2° | 180.0° |
H1 | C1 | C2 | H3 | 58.8° | 60.0° |
H1 | C1 | C2 | H4 | 178.8° | 60.0° |
H1 | C1 | C | H24 | 62.3° | 60.0° |
H1 | C1 | C | H25 | 177.7° | 60.0° |
H1 | C1 | C | H26 | 57.7° | 180.0° |
H2 | C2 | H3 | H4 | 120.0° | 120.0° |
H5 | C8 | C9 | H6 | 0.4° | 0.0° |
H7 | C11 | C12 | H8 | 0.0° | 0.1° |
H10 | C20 | C21 | H12 | 64.6° | 55.0° |
H10 | C20 | C21 | H13 | 55.7° | 65.0° |
H11 | C20 | C21 | H12 | 175.3° | 65.1° |
H11 | C20 | C21 | H13 | 64.4° | 175.0° |
H14 | C22 | H15 | H16 | 120.0° | 120.0° |
H24 | C | H25 | H26 | 120.0° | 120.0° |