8F6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | C23 | doub | 1.38Å | 1.54Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.54Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.54Å | Aromatic |
C25 | C19 | doub | 1.38Å | 1.54Å | Aromatic |
C22 | C21 | doub | 1.38Å | 1.54Å | Aromatic |
C17 | C18 | sing | 1.53Å | 1.53Å | |
C17 | C14 | sing | 1.53Å | 1.53Å | |
C19 | C21 | sing | 1.38Å | 1.54Å | Aromatic |
C19 | C16 | sing | 1.51Å | 1.55Å | |
C18 | C14 | sing | 1.53Å | 1.53Å | |
C20 | C16 | sing | 1.53Å | 1.54Å | |
C16 | N15 | sing | 1.47Å | 1.48Å | |
C14 | N07 | sing | 1.47Å | 1.46Å | |
N07 | C04 | sing | 1.40Å | 1.46Å | |
N07 | C08 | sing | 1.47Å | 1.44Å | |
C03 | C04 | doub | 1.39Å | 1.53Å | Aromatic |
C03 | C02 | sing | 1.39Å | 1.55Å | Aromatic |
N15 | C02 | sing | 1.40Å | 1.48Å | |
C04 | C05 | sing | 1.40Å | 1.54Å | Aromatic |
C02 | C01 | doub | 1.39Å | 1.57Å | Aromatic |
C08 | C09 | sing | 1.51Å | 1.51Å | |
C08 | C13 | sing | 1.53Å | 1.55Å | |
C09 | O12 | doub | 1.21Å | 1.19Å | |
C09 | N10 | sing | 1.35Å | 1.46Å | |
C05 | N10 | sing | 1.41Å | 1.49Å | |
C05 | C06 | doub | 1.38Å | 1.56Å | Aromatic |
C01 | C06 | sing | 1.38Å | 1.56Å | Aromatic |
N10 | C11 | sing | 1.47Å | 1.46Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
C17 | H5 | sing | 1.09Å | 1.10Å | |
C20 | H6 | sing | 1.09Å | 1.10Å | |
C20 | H7 | sing | 1.09Å | 1.10Å | |
C20 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.08Å | 1.08Å | |
C22 | H10 | sing | 1.08Å | 1.08Å | |
C24 | H11 | sing | 1.08Å | 1.08Å | |
C01 | H12 | sing | 1.08Å | 1.08Å | |
C03 | H13 | sing | 1.08Å | 1.08Å | |
C06 | H14 | sing | 1.08Å | 1.08Å | |
C08 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å | |
C11 | H18 | sing | 1.09Å | 1.10Å | |
C14 | H19 | sing | 1.09Å | 1.10Å | |
C16 | H20 | sing | 1.09Å | 1.10Å | |
C18 | H21 | sing | 1.09Å | 1.10Å | |
C18 | H22 | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C25 | H24 | sing | 1.08Å | 1.08Å | |
N15 | H25 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | C24 | C25 | 119.7° | 120.0° |
C24 | C23 | C22 | 119.7° | 120.0° |
C23 | C24 | H11 | 120.1° | 120.0° |
C24 | C23 | H23 | 120.2° | 120.0° |
C24 | C25 | C19 | 120.8° | 120.0° |
C25 | C24 | H11 | 120.1° | 120.0° |
C24 | C25 | H24 | 119.6° | 120.1° |
C23 | C22 | C21 | 120.6° | 120.0° |
C23 | C22 | H10 | 119.7° | 120.0° |
C22 | C23 | H23 | 120.2° | 120.0° |
C25 | C19 | C21 | 119.1° | 120.0° |
C25 | C19 | C16 | 119.4° | 120.0° |
C19 | C25 | H24 | 119.6° | 120.0° |
C22 | C21 | C19 | 120.1° | 120.0° |
C22 | C21 | H9 | 119.9° | 120.1° |
C21 | C22 | H10 | 119.7° | 120.0° |
C18 | C17 | C14 | 59.9° | 60.0° |
C17 | C18 | C14 | 59.8° | 60.0° |
C18 | C17 | H4 | 120.0° | 117.5° |
C18 | C17 | H5 | 120.0° | 117.5° |
C17 | C18 | H21 | 120.0° | 117.4° |
C17 | C18 | H22 | 120.0° | 117.5° |
C17 | C14 | C18 | 60.3° | 60.0° |
C17 | C14 | N07 | 124.6° | 117.5° |
C14 | C17 | H4 | 120.0° | 117.5° |
C14 | C17 | H5 | 120.0° | 117.5° |
C17 | C14 | H19 | 108.6° | 117.5° |
C21 | C19 | C16 | 121.5° | 120.0° |
C19 | C21 | H9 | 119.9° | 120.0° |
C19 | C16 | C20 | 109.2° | 109.4° |
C19 | C16 | N15 | 116.4° | 109.5° |
C19 | C16 | H20 | 106.2° | 109.4° |
C18 | C14 | N07 | 135.6° | 117.5° |
C18 | C14 | H19 | 108.6° | 117.6° |
C14 | C18 | H21 | 120.0° | 117.4° |
C14 | C18 | H22 | 120.0° | 117.5° |
C20 | C16 | N15 | 111.1° | 109.5° |
C16 | C20 | H6 | 109.5° | 109.5° |
C16 | C20 | H7 | 109.4° | 109.5° |
C16 | C20 | H8 | 109.5° | 109.5° |
C20 | C16 | H20 | 106.4° | 109.5° |
C16 | N15 | C02 | 121.4° | 119.9° |
N15 | C16 | H20 | 107.0° | 109.5° |
C16 | N15 | H25 | 106.4° | 120.0° |
C14 | N07 | C04 | 115.3° | 111.0° |
C14 | N07 | C08 | 116.1° | 111.0° |
N07 | C14 | H19 | 109.5° | 115.5° |
C04 | N07 | C08 | 115.0° | 112.0° |
N07 | C04 | C03 | 121.0° | 120.1° |
N07 | C04 | C05 | 119.3° | 120.2° |
N07 | C08 | C09 | 114.8° | 110.1° |
N07 | C08 | C13 | 109.9° | 109.4° |
N07 | C08 | H15 | 108.9° | 109.3° |
C04 | C03 | C02 | 121.8° | 119.9° |
C03 | C04 | C05 | 119.7° | 119.7° |
C04 | C03 | H13 | 119.1° | 120.1° |
C03 | C02 | N15 | 117.9° | 119.9° |
C03 | C02 | C01 | 119.0° | 120.1° |
C02 | C03 | H13 | 119.1° | 120.0° |
N15 | C02 | C01 | 123.1° | 120.0° |
C02 | N15 | H25 | 106.4° | 120.1° |
C04 | C05 | N10 | 116.0° | 119.4° |
C04 | C05 | C06 | 120.0° | 120.2° |
C02 | C01 | C06 | 119.2° | 120.1° |
C02 | C01 | H12 | 120.4° | 119.9° |
C09 | C08 | C13 | 107.6° | 109.4° |
C08 | C09 | O12 | 119.2° | 120.3° |
C08 | C09 | N10 | 117.4° | 119.4° |
C09 | C08 | H15 | 108.0° | 109.4° |
C08 | C13 | H1 | 109.5° | 109.5° |
C08 | C13 | H2 | 109.5° | 109.5° |
C08 | C13 | H3 | 109.5° | 109.5° |
C13 | C08 | H15 | 107.5° | 109.3° |
O12 | C09 | N10 | 123.4° | 120.3° |
C09 | N10 | C05 | 119.7° | 118.6° |
C09 | N10 | C11 | 121.6° | 120.7° |
N10 | C05 | C06 | 123.9° | 120.4° |
C05 | N10 | C11 | 118.5° | 120.7° |
C05 | C06 | C01 | 120.4° | 120.0° |
C05 | C06 | H14 | 119.8° | 120.0° |
C06 | C01 | H12 | 120.4° | 120.0° |
C01 | C06 | H14 | 119.8° | 120.0° |
N10 | C11 | H16 | 109.5° | 109.4° |
N10 | C11 | H17 | 109.5° | 109.5° |
N10 | C11 | H18 | 109.5° | 109.5° |
H1 | C13 | H2 | 109.5° | 109.5° |
H1 | C13 | H3 | 109.5° | 109.5° |
H2 | C13 | H3 | 109.5° | 109.5° |
H4 | C17 | H5 | 109.4° | 115.6° |
H6 | C20 | H7 | 109.5° | 109.4° |
H6 | C20 | H8 | 109.4° | 109.5° |
H7 | C20 | H8 | 109.5° | 109.5° |
H16 | C11 | H17 | 109.4° | 109.5° |
H16 | C11 | H18 | 109.4° | 109.5° |
H17 | C11 | H18 | 109.5° | 109.5° |
H21 | C18 | H22 | 109.5° | 115.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | C24 | C25 | H11 | 180.0° | 179.6° |
C24 | C23 | C22 | H23 | 180.0° | 179.8° |
C23 | C24 | C25 | C19 | 0.5° | 0.4° |
C24 | C23 | C22 | C21 | 0.4° | 0.1° |
C24 | C23 | C22 | H10 | 179.6° | 180.0° |
C23 | C24 | C25 | H24 | 179.5° | 179.9° |
C25 | C24 | C23 | C22 | 0.4° | 0.3° |
C24 | C25 | C19 | H24 | 180.0° | 179.6° |
C24 | C25 | C19 | C21 | 0.6° | 0.1° |
C24 | C25 | C19 | C16 | 179.0° | 180.0° |
C25 | C24 | C23 | H23 | 179.6° | 180.0° |
C23 | C22 | C21 | H10 | 180.0° | 179.9° |
C23 | C22 | C21 | C19 | 0.4° | 0.3° |
C23 | C22 | C21 | H9 | 179.6° | 180.0° |
C22 | C23 | C24 | H11 | 179.6° | 179.9° |
C25 | C19 | C21 | C22 | 0.5° | 0.3° |
C25 | C19 | C21 | C16 | 179.6° | 180.0° |
C25 | C19 | C16 | C20 | 15.5° | 80.0° |
C25 | C19 | C16 | N15 | 142.2° | 40.0° |
C25 | C19 | C21 | H9 | 179.5° | 180.0° |
C19 | C25 | C24 | H11 | 179.5° | 180.0° |
C25 | C19 | C16 | H20 | 98.8° | 160.0° |
C22 | C21 | C19 | H9 | 180.0° | 179.7° |
C22 | C21 | C19 | C16 | 179.0° | 179.7° |
C21 | C22 | C23 | H23 | 179.7° | 179.7° |
C18 | C17 | C14 | H4 | 109.5° | 107.5° |
C18 | C17 | C14 | H5 | 109.5° | 107.5° |
C17 | C18 | C14 | H21 | 109.4° | 107.4° |
C17 | C18 | C14 | H22 | 109.4° | 107.5° |
C18 | C17 | C14 | N07 | 127.3° | 107.5° |
C18 | C17 | H4 | H5 | 144.8° | 145.7° |
C18 | C17 | C14 | H19 | 101.2° | 107.6° |
C17 | C18 | H21 | H22 | 144.9° | 145.7° |
C17 | C14 | N07 | H19 | 131.1° | 145.6° |
C17 | C14 | N07 | C04 | 92.5° | 56.0° |
C17 | C14 | N07 | C08 | 128.8° | 178.8° |
C14 | C17 | H4 | H5 | 144.8° | 145.7° |
C21 | C19 | C16 | C20 | 164.9° | 100.0° |
C21 | C19 | C16 | N15 | 38.2° | 140.0° |
C19 | C21 | C22 | H10 | 179.6° | 179.7° |
C21 | C19 | C16 | H20 | 80.8° | 20.0° |
C21 | C19 | C25 | H24 | 179.4° | 179.7° |
C19 | C16 | C20 | N15 | 129.7° | 120.0° |
C19 | C16 | C20 | H20 | 114.2° | 119.9° |
C19 | C16 | N15 | H20 | 118.5° | 120.0° |
C19 | C16 | N15 | C02 | 38.7° | 155.0° |
C19 | C16 | C20 | H6 | 180.0° | 60.1° |
C19 | C16 | C20 | H7 | 60.0° | 179.9° |
C19 | C16 | C20 | H8 | 60.0° | 60.0° |
C16 | C19 | C21 | H9 | 1.0° | 0.0° |
C16 | C19 | C25 | H24 | 1.0° | 0.4° |
C19 | C16 | N15 | H25 | 83.0° | 25.0° |
C18 | C14 | N07 | H19 | 147.8° | 145.8° |
C18 | C14 | N07 | C04 | 173.5° | 124.7° |
C18 | C14 | N07 | C08 | 47.7° | 110.1° |
C14 | C18 | H21 | H22 | 144.9° | 145.7° |
C20 | C16 | N15 | H20 | 115.7° | 120.0° |
C20 | C16 | N15 | C02 | 87.2° | 85.0° |
C16 | C20 | H6 | H7 | 120.0° | 119.9° |
C16 | C20 | H6 | H8 | 120.0° | 120.1° |
C16 | C20 | H7 | H8 | 120.0° | 120.0° |
C20 | C16 | N15 | H25 | 151.2° | 95.0° |
C16 | N15 | C02 | C03 | 24.3° | 180.0° |
C16 | N15 | C02 | H25 | 121.6° | 180.0° |
C16 | N15 | C02 | C01 | 155.3° | 0.0° |
N15 | C16 | C20 | H6 | 50.3° | 59.9° |
N15 | C16 | C20 | H7 | 170.3° | 60.0° |
N15 | C16 | C20 | H8 | 69.7° | 180.0° |
C14 | N07 | C04 | C08 | 139.2° | 124.7° |
C14 | N07 | C04 | C03 | 10.8° | 91.0° |
C14 | N07 | C04 | C05 | 168.3° | 88.8° |
C14 | N07 | C08 | C09 | 171.7° | 74.0° |
C14 | N07 | C08 | C13 | 66.9° | 46.2° |
N07 | C14 | C17 | H4 | 17.8° | 145.0° |
N07 | C14 | C17 | H5 | 123.2° | 0.0° |
C14 | N07 | C08 | H15 | 50.6° | 165.9° |
N07 | C14 | C18 | H21 | 139.9° | 145.1° |
N07 | C14 | C18 | H22 | 1.3° | 0.0° |
N07 | C04 | C03 | C05 | 179.2° | 179.8° |
N07 | C04 | C03 | C02 | 179.7° | 179.6° |
C04 | N07 | C08 | C09 | 49.4° | 50.7° |
C04 | N07 | C08 | C13 | 72.0° | 170.9° |
N07 | C04 | C05 | N10 | 3.6° | 0.4° |
N07 | C04 | C05 | C06 | 178.9° | 179.6° |
N07 | C04 | C03 | H13 | 0.3° | 0.3° |
C04 | N07 | C08 | H15 | 170.6° | 69.4° |
C04 | N07 | C14 | H19 | 38.6° | 89.6° |
C08 | N07 | C04 | C03 | 150.0° | 144.4° |
C08 | N07 | C04 | C05 | 29.2° | 35.9° |
N07 | C08 | C09 | C13 | 122.6° | 120.2° |
N07 | C08 | C09 | H15 | 121.7° | 120.1° |
N07 | C08 | C13 | H15 | 118.3° | 119.7° |
N07 | C08 | C09 | O12 | 144.9° | 145.0° |
N07 | C08 | C09 | N10 | 37.2° | 34.9° |
N07 | C08 | C13 | H1 | 180.0° | 60.6° |
N07 | C08 | C13 | H2 | 60.0° | 59.4° |
N07 | C08 | C13 | H3 | 60.0° | 179.4° |
C08 | N07 | C14 | H19 | 100.1° | 35.6° |
C04 | C03 | C02 | H13 | 180.0° | 180.0° |
C04 | C03 | C02 | N15 | 179.5° | 180.0° |
C04 | C03 | C02 | C01 | 0.2° | 0.0° |
C03 | C04 | C05 | N10 | 177.2° | 179.8° |
C03 | C04 | C05 | C06 | 1.9° | 0.2° |
C03 | C02 | N15 | C01 | 179.6° | 179.9° |
C02 | C03 | C04 | C05 | 1.1° | 0.1° |
C03 | C02 | C01 | C06 | 0.1° | 0.0° |
C03 | C02 | C01 | H12 | 180.0° | 179.8° |
C03 | C02 | N15 | H25 | 146.0° | 0.0° |
N15 | C02 | C01 | C06 | 179.6° | 179.9° |
N15 | C02 | C01 | H12 | 0.4° | 0.1° |
N15 | C02 | C03 | H13 | 0.5° | 0.0° |
C02 | N15 | C16 | H20 | 157.2° | 35.0° |
C04 | C05 | N10 | C09 | 15.9° | 18.1° |
C04 | C05 | N10 | C06 | 175.2° | 180.0° |
C04 | C05 | C06 | C01 | 1.8° | 0.2° |
C04 | C05 | N10 | C11 | 159.0° | 162.1° |
C05 | C04 | C03 | H13 | 178.9° | 179.9° |
C04 | C05 | C06 | H14 | 178.2° | 179.8° |
C02 | C01 | C06 | C05 | 0.8° | 0.1° |
C02 | C01 | C06 | H12 | 180.0° | 179.8° |
C01 | C02 | C03 | H13 | 179.8° | 180.0° |
C02 | C01 | C06 | H14 | 179.2° | 179.7° |
C01 | C02 | N15 | H25 | 33.7° | 180.0° |
C09 | C08 | C13 | H15 | 116.0° | 119.7° |
C08 | C09 | O12 | N10 | 177.8° | 179.9° |
C08 | C09 | N10 | C05 | 3.9° | 0.7° |
C08 | C09 | N10 | C11 | 178.6° | 179.2° |
C09 | C08 | C13 | H1 | 54.4° | 60.0° |
C09 | C08 | C13 | H2 | 65.6° | 179.9° |
C09 | C08 | C13 | H3 | 174.4° | 60.0° |
C13 | C08 | C09 | O12 | 92.5° | 24.8° |
C13 | C08 | C09 | N10 | 85.4° | 155.1° |
C08 | C13 | H1 | H2 | 120.0° | 120.0° |
C08 | C13 | H1 | H3 | 120.0° | 120.0° |
C08 | C13 | H2 | H3 | 120.0° | 120.0° |
O12 | C09 | N10 | C05 | 178.3° | 179.2° |
O12 | C09 | N10 | C11 | 3.6° | 0.9° |
O12 | C09 | C08 | H15 | 23.2° | 94.9° |
C09 | N10 | C05 | C11 | 174.9° | 179.9° |
C09 | N10 | C05 | C06 | 169.0° | 161.9° |
N10 | C09 | C08 | H15 | 158.9° | 85.2° |
C09 | N10 | C11 | H16 | 180.0° | 90.1° |
C09 | N10 | C11 | H17 | 60.0° | 29.9° |
C09 | N10 | C11 | H18 | 60.0° | 149.9° |
N10 | C05 | C06 | C01 | 176.7° | 179.8° |
N10 | C05 | C06 | H14 | 3.3° | 0.2° |
C05 | N10 | C11 | H16 | 5.2° | 90.1° |
C05 | N10 | C11 | H17 | 125.2° | 149.9° |
C05 | N10 | C11 | H18 | 114.8° | 29.9° |
C05 | C06 | C01 | H14 | 180.0° | 179.7° |
C06 | C05 | N10 | C11 | 16.1° | 17.9° |
C05 | C06 | C01 | H12 | 179.2° | 179.7° |
N10 | C11 | H16 | H17 | 120.0° | 120.0° |
N10 | C11 | H16 | H18 | 120.0° | 120.0° |
N10 | C11 | H17 | H18 | 120.0° | 120.0° |
H1 | C13 | H2 | H3 | 120.0° | 120.0° |
H1 | C13 | C08 | H15 | 61.7° | 179.7° |
H2 | C13 | C08 | H15 | 178.3° | 60.2° |
H3 | C13 | C08 | H15 | 58.4° | 59.7° |
H4 | C17 | C14 | H19 | 149.3° | 0.1° |
H4 | C17 | C18 | H21 | 141.2° | 0.0° |
H4 | C17 | C18 | H22 | 0.0° | 145.0° |
H5 | C17 | C14 | H19 | 8.2° | 144.9° |
H5 | C17 | C18 | H21 | 0.1° | 145.1° |
H5 | C17 | C18 | H22 | 141.1° | 0.1° |
H6 | C20 | H7 | H8 | 119.9° | 120.0° |
H6 | C20 | C16 | H20 | 65.8° | 180.0° |
H7 | C20 | C16 | H20 | 54.2° | 60.1° |
H8 | C20 | C16 | H20 | 174.2° | 60.0° |
H9 | C21 | C22 | H10 | 0.4° | 0.1° |
H10 | C22 | C23 | H23 | 0.4° | 0.2° |
H11 | C24 | C23 | H23 | 0.4° | 0.3° |
H11 | C24 | C25 | H24 | 0.5° | 0.4° |
H12 | C01 | C06 | H14 | 0.8° | 0.1° |
H16 | C11 | H17 | H18 | 120.0° | 120.0° |
H19 | C14 | C18 | H21 | 8.1° | 0.0° |
H19 | C14 | C18 | H22 | 149.3° | 145.1° |
H20 | C16 | N15 | H25 | 35.5° | 145.0° |