K8F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N02 | C02 | sing | 1.39Å | 1.35Å | |
C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
C07 | C04 | sing | 1.51Å | 1.50Å | |
C02 | N01 | sing | 1.32Å | 1.34Å | Aromatic |
C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
N01 | C06 | doub | 1.32Å | 1.34Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C06 | C08 | sing | 1.51Å | 1.51Å | |
C08 | C09 | sing | 1.53Å | 1.51Å | |
C09 | C10 | sing | 1.53Å | 1.53Å | |
C10 | N11 | sing | 1.47Å | 1.46Å | |
N11 | C12 | sing | 1.48Å | 1.47Å | |
N11 | C14 | sing | 1.48Å | 1.47Å | |
C12 | C13 | sing | 1.54Å | 1.52Å | |
F15 | C13 | sing | 1.40Å | 1.32Å | |
C14 | C13 | sing | 1.54Å | 1.52Å | |
C13 | F16 | sing | 1.40Å | 1.33Å | |
C03 | H1 | sing | 1.08Å | 1.08Å | |
C05 | H2 | sing | 1.08Å | 1.08Å | |
C07 | H3 | sing | 1.09Å | 1.10Å | |
C07 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C09 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
N02 | H16 | sing | 0.97Å | 1.00Å | |
N02 | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N02 | C02 | C03 | 121.2° | 119.7° |
N02 | C02 | N01 | 119.0° | 119.7° |
C02 | N02 | H16 | 109.5° | 120.0° |
C02 | N02 | H17 | 109.5° | 120.0° |
C02 | C03 | C04 | 119.4° | 119.1° |
C03 | C02 | N01 | 119.8° | 120.6° |
C02 | C03 | H1 | 120.3° | 120.4° |
C03 | C04 | C07 | 119.2° | 120.7° |
C03 | C04 | C05 | 119.7° | 118.5° |
C04 | C03 | H1 | 120.3° | 120.5° |
C07 | C04 | C05 | 121.0° | 120.8° |
C04 | C07 | H3 | 109.5° | 109.4° |
C04 | C07 | H4 | 109.5° | 109.5° |
C04 | C07 | H5 | 109.4° | 109.5° |
C02 | N01 | C06 | 122.2° | 121.6° |
C04 | C05 | C06 | 118.8° | 119.3° |
C04 | C05 | H2 | 120.6° | 120.4° |
N01 | C06 | C05 | 120.1° | 120.9° |
N01 | C06 | C08 | 115.8° | 119.6° |
C05 | C06 | C08 | 124.1° | 119.5° |
C06 | C05 | H2 | 120.6° | 120.3° |
C06 | C08 | C09 | 115.1° | 109.5° |
C06 | C08 | H6 | 108.1° | 109.5° |
C06 | C08 | H7 | 108.1° | 109.5° |
C08 | C09 | C10 | 107.4° | 109.5° |
C09 | C08 | H6 | 108.0° | 109.5° |
C09 | C08 | H7 | 108.0° | 109.4° |
C08 | C09 | H8 | 110.0° | 109.5° |
C08 | C09 | H9 | 110.0° | 109.5° |
C09 | C10 | N11 | 108.3° | 109.5° |
C10 | C09 | H8 | 110.0° | 109.5° |
C10 | C09 | H9 | 110.0° | 109.5° |
C09 | C10 | H10 | 109.8° | 109.5° |
C09 | C10 | H11 | 109.8° | 109.5° |
C10 | N11 | C12 | 113.0° | 111.0° |
C10 | N11 | C14 | 111.5° | 111.0° |
N11 | C10 | H10 | 109.8° | 109.5° |
N11 | C10 | H11 | 109.8° | 109.4° |
C12 | N11 | C14 | 93.2° | 90.8° |
N11 | C12 | C13 | 88.0° | 86.2° |
N11 | C12 | H12 | 114.5° | 113.8° |
N11 | C12 | H13 | 114.5° | 113.8° |
N11 | C14 | C13 | 88.1° | 86.2° |
N11 | C14 | H14 | 114.5° | 113.8° |
N11 | C14 | H15 | 114.5° | 113.8° |
C12 | C13 | F15 | 114.4° | 113.8° |
C12 | C13 | C14 | 89.5° | 86.3° |
C12 | C13 | F16 | 111.2° | 113.7° |
C13 | C12 | H12 | 114.6° | 113.8° |
C13 | C12 | H13 | 114.6° | 113.7° |
F15 | C13 | C14 | 114.2° | 113.8° |
F15 | C13 | F16 | 114.6° | 113.0° |
C14 | C13 | F16 | 110.4° | 113.7° |
C13 | C14 | H14 | 114.5° | 113.7° |
C13 | C14 | H15 | 114.5° | 113.8° |
H3 | C07 | H4 | 109.5° | 109.4° |
H3 | C07 | H5 | 109.5° | 109.5° |
H4 | C07 | H5 | 109.5° | 109.5° |
H6 | C08 | H7 | 109.5° | 109.5° |
H8 | C09 | H9 | 109.5° | 109.5° |
H10 | C10 | H11 | 109.4° | 109.5° |
H12 | C12 | H13 | 109.5° | 113.0° |
H14 | C14 | H15 | 109.5° | 113.0° |
H16 | N02 | H17 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N02 | C02 | C03 | N01 | 179.0° | 179.7° |
N02 | C02 | C03 | C04 | 179.4° | 179.7° |
N02 | C02 | N01 | C06 | 179.7° | 179.7° |
N02 | C02 | C03 | H1 | 0.5° | 0.3° |
C02 | N02 | H16 | H17 | 120.0° | 180.0° |
C02 | C03 | C04 | H1 | 180.0° | 180.0° |
C02 | C03 | C04 | C07 | 179.6° | 180.0° |
C02 | C03 | C04 | C05 | 0.1° | 0.0° |
C03 | C02 | N01 | C06 | 0.7° | 0.0° |
C03 | C02 | N02 | H16 | 179.1° | 179.7° |
C03 | C02 | N02 | H17 | 59.1° | 0.3° |
C03 | C04 | C07 | C05 | 179.5° | 179.9° |
C04 | C03 | C02 | N01 | 0.4° | 0.0° |
C03 | C04 | C05 | C06 | 0.3° | 0.0° |
C03 | C04 | C05 | H2 | 179.7° | 179.9° |
C03 | C04 | C07 | H3 | 90.3° | 90.0° |
C03 | C04 | C07 | H4 | 149.7° | 150.0° |
C03 | C04 | C07 | H5 | 29.8° | 30.0° |
C07 | C04 | C05 | C06 | 179.8° | 179.9° |
C07 | C04 | C03 | H1 | 0.4° | 0.0° |
C07 | C04 | C05 | H2 | 0.2° | 0.0° |
C04 | C07 | H3 | H4 | 120.0° | 119.9° |
C04 | C07 | H3 | H5 | 120.0° | 120.0° |
C04 | C07 | H4 | H5 | 120.0° | 120.0° |
C02 | N01 | C06 | C05 | 0.4° | 0.0° |
C02 | N01 | C06 | C08 | 179.3° | 180.0° |
N01 | C02 | C03 | H1 | 179.6° | 180.0° |
N01 | C02 | N02 | H16 | 0.0° | 0.0° |
N01 | C02 | N02 | H17 | 120.0° | 180.0° |
C04 | C05 | C06 | N01 | 0.1° | 0.0° |
C04 | C05 | C06 | H2 | 180.0° | 179.9° |
C04 | C05 | C06 | C08 | 178.7° | 180.0° |
C05 | C04 | C03 | H1 | 179.9° | 180.0° |
C05 | C04 | C07 | H3 | 90.3° | 90.0° |
C05 | C04 | C07 | H4 | 29.8° | 29.9° |
C05 | C04 | C07 | H5 | 149.7° | 150.0° |
N01 | C06 | C05 | C08 | 178.8° | 179.9° |
N01 | C06 | C08 | C09 | 165.8° | 54.9° |
N01 | C06 | C05 | H2 | 180.0° | 180.0° |
N01 | C06 | C08 | H6 | 73.4° | 65.0° |
N01 | C06 | C08 | H7 | 44.9° | 174.9° |
C05 | C06 | C08 | C09 | 15.4° | 125.0° |
C05 | C06 | C08 | H6 | 105.4° | 115.0° |
C05 | C06 | C08 | H7 | 136.2° | 5.0° |
C06 | C08 | C09 | H6 | 120.8° | 120.0° |
C06 | C08 | C09 | H7 | 120.8° | 120.0° |
C06 | C08 | C09 | C10 | 164.4° | 180.0° |
C08 | C06 | C05 | H2 | 1.2° | 0.1° |
C06 | C08 | H6 | H7 | 117.5° | 120.0° |
C06 | C08 | C09 | H8 | 75.9° | 60.0° |
C06 | C08 | C09 | H9 | 44.8° | 60.0° |
C08 | C09 | C10 | H8 | 119.7° | 120.0° |
C08 | C09 | C10 | H9 | 119.7° | 120.1° |
C08 | C09 | C10 | N11 | 120.9° | 180.0° |
C09 | C08 | H6 | H7 | 117.4° | 120.0° |
C08 | C09 | H8 | H9 | 121.0° | 120.0° |
C08 | C09 | C10 | H10 | 119.3° | 60.0° |
C08 | C09 | C10 | H11 | 1.1° | 60.0° |
C09 | C10 | N11 | H10 | 119.8° | 120.0° |
C09 | C10 | N11 | H11 | 119.8° | 120.0° |
C09 | C10 | N11 | C12 | 164.4° | 170.0° |
C09 | C10 | N11 | C14 | 92.1° | 90.6° |
C10 | C09 | C08 | H6 | 43.6° | 60.0° |
C10 | C09 | C08 | H7 | 74.7° | 60.0° |
C10 | C09 | H8 | H9 | 120.9° | 120.0° |
C09 | C10 | H10 | H11 | 120.5° | 120.0° |
C10 | N11 | C12 | C14 | 115.0° | 112.9° |
C10 | N11 | C12 | C13 | 123.2° | 137.5° |
C10 | N11 | C14 | C13 | 124.5° | 137.6° |
N11 | C10 | C09 | H8 | 1.2° | 60.0° |
N11 | C10 | C09 | H9 | 119.4° | 60.0° |
N11 | C10 | H10 | H11 | 120.5° | 120.0° |
C10 | N11 | C12 | H12 | 7.1° | 108.1° |
C10 | N11 | C12 | H13 | 120.6° | 23.3° |
C10 | N11 | C14 | H14 | 119.3° | 23.3° |
C10 | N11 | C14 | H15 | 8.3° | 108.1° |
N11 | C12 | C13 | H12 | 116.2° | 114.3° |
N11 | C12 | C13 | H13 | 116.1° | 114.4° |
N11 | C12 | C13 | F15 | 124.5° | 138.2° |
C12 | N11 | C14 | C13 | 8.3° | 24.7° |
N11 | C12 | C13 | F16 | 103.8° | 90.6° |
C12 | N11 | C10 | H10 | 75.7° | 70.0° |
C12 | N11 | C10 | H11 | 44.6° | 50.0° |
N11 | C12 | H12 | H13 | 130.2° | 131.8° |
C12 | N11 | C14 | H14 | 124.4° | 89.6° |
C12 | N11 | C14 | H15 | 107.9° | 139.0° |
N11 | C14 | C13 | F15 | 124.6° | 138.1° |
N11 | C14 | C13 | H14 | 116.2° | 114.3° |
N11 | C14 | C13 | H15 | 116.2° | 114.4° |
N11 | C14 | C13 | F16 | 104.5° | 90.6° |
C14 | N11 | C10 | H10 | 27.7° | 29.4° |
C14 | N11 | C10 | H11 | 148.1° | 149.3° |
C14 | N11 | C12 | H12 | 107.9° | 139.0° |
C14 | N11 | C12 | H13 | 124.4° | 89.6° |
N11 | C14 | H14 | H15 | 130.2° | 131.8° |
C12 | C13 | F15 | C14 | 101.1° | 96.8° |
C12 | C13 | F15 | F16 | 130.1° | 131.5° |
C12 | C13 | C14 | F16 | 112.5° | 114.3° |
C13 | C12 | H12 | H13 | 130.3° | 131.6° |
C12 | C13 | C14 | H14 | 124.2° | 90.6° |
C12 | C13 | C14 | H15 | 108.2° | 138.1° |
F15 | C13 | C14 | F16 | 130.8° | 131.3° |
F15 | C13 | C12 | H12 | 8.3° | 107.5° |
F15 | C13 | C12 | H13 | 119.4° | 23.8° |
F15 | C13 | C14 | H14 | 119.2° | 23.8° |
F15 | C13 | C14 | H15 | 8.5° | 107.5° |
C14 | C13 | C12 | H12 | 108.2° | 138.0° |
C14 | C13 | C12 | H13 | 124.1° | 90.7° |
C13 | C14 | H14 | H15 | 130.2° | 131.6° |
F16 | C13 | C12 | H12 | 140.1° | 23.7° |
F16 | C13 | C12 | H13 | 12.4° | 155.0° |
F16 | C13 | C14 | H14 | 11.7° | 155.1° |
F16 | C13 | C14 | H15 | 139.3° | 23.8° |
H3 | C07 | H4 | H5 | 120.0° | 120.1° |
H6 | C08 | C09 | H8 | 163.2° | 180.0° |
H6 | C08 | C09 | H9 | 76.1° | 60.0° |
H7 | C08 | C09 | H8 | 44.9° | 60.0° |
H7 | C08 | C09 | H9 | 165.6° | 180.0° |
H8 | C09 | C10 | H10 | 121.0° | 180.0° |
H8 | C09 | C10 | H11 | 118.6° | 60.0° |
H9 | C09 | C10 | H10 | 0.4° | 60.0° |
H9 | C09 | C10 | H11 | 120.7° | 180.0° |