JF8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | sing | 1.38Å | 1.44Å | |
C02 | N03 | sing | 1.35Å | 1.35Å | Aromatic |
C02 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
N03 | N04 | sing | 1.40Å | 1.36Å | Aromatic |
C15 | C16 | sing | 1.43Å | 1.51Å | |
C15 | C05 | sing | 1.47Å | 1.39Å | Aromatic |
C16 | N17 | trip | 1.14Å | 1.15Å | |
N04 | C05 | doub | 1.31Å | 1.33Å | Aromatic |
C05 | C06 | sing | 1.48Å | 1.53Å | |
C06 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
C06 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.36Å | 1.40Å | Aromatic |
C14 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
C08 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
C10 | C09 | sing | 1.41Å | 1.38Å | Aromatic |
C10 | N11 | sing | 1.38Å | 1.37Å | Aromatic |
C09 | C13 | sing | 1.46Å | 1.44Å | Aromatic |
N11 | C12 | sing | 1.37Å | 1.34Å | Aromatic |
C13 | C12 | doub | 1.34Å | 1.39Å | Aromatic |
C13 | H1 | sing | 1.08Å | 1.08Å | |
N01 | H2 | sing | 0.97Å | 1.00Å | |
N01 | H3 | sing | 0.97Å | 1.00Å | |
N03 | H4 | sing | 0.97Å | 1.00Å | |
C07 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
N11 | H7 | sing | 0.97Å | 1.00Å | |
C12 | H8 | sing | 1.08Å | 1.08Å | |
C14 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N01 | C02 | N03 | 126.1° | 126.2° |
N01 | C02 | C15 | 125.9° | 126.2° |
C02 | N01 | H2 | 109.5° | 120.0° |
C02 | N01 | H3 | 109.5° | 120.0° |
N03 | C02 | C15 | 108.0° | 107.6° |
C02 | N03 | N04 | 107.9° | 109.6° |
C02 | N03 | H4 | 126.1° | 125.2° |
C02 | C15 | C16 | 122.4° | 126.9° |
C02 | C15 | C05 | 106.1° | 106.3° |
N03 | N04 | C05 | 109.9° | 109.4° |
N04 | N03 | H4 | 126.0° | 125.1° |
C16 | C15 | C05 | 131.4° | 126.8° |
C15 | C16 | N17 | 176.7° | 180.0° |
C15 | C05 | N04 | 108.0° | 107.1° |
C15 | C05 | C06 | 131.2° | 126.5° |
N04 | C05 | C06 | 120.2° | 126.4° |
C05 | C06 | C07 | 121.8° | 119.8° |
C05 | C06 | C14 | 115.5° | 119.8° |
C07 | C06 | C14 | 122.1° | 120.4° |
C06 | C07 | C08 | 118.8° | 120.4° |
C06 | C07 | H5 | 120.6° | 119.8° |
C06 | C14 | C10 | 118.1° | 119.7° |
C06 | C14 | H9 | 120.9° | 120.1° |
C07 | C08 | C09 | 119.7° | 119.9° |
C08 | C07 | H5 | 120.6° | 119.8° |
C07 | C08 | H6 | 120.1° | 120.0° |
C14 | C10 | C09 | 120.6° | 119.5° |
C14 | C10 | N11 | 130.7° | 133.4° |
C10 | C14 | H9 | 120.9° | 120.2° |
C08 | C09 | C10 | 120.6° | 120.1° |
C08 | C09 | C13 | 133.7° | 133.8° |
C09 | C08 | H6 | 120.2° | 120.1° |
C09 | C10 | N11 | 108.7° | 107.1° |
C10 | C09 | C13 | 105.7° | 106.1° |
C10 | N11 | C12 | 110.1° | 109.9° |
C10 | N11 | H7 | 124.9° | 125.0° |
C09 | C13 | C12 | 107.3° | 107.0° |
C09 | C13 | H1 | 126.3° | 126.5° |
N11 | C12 | C13 | 108.3° | 109.9° |
C12 | N11 | H7 | 125.0° | 125.1° |
N11 | C12 | H8 | 125.9° | 125.1° |
C12 | C13 | H1 | 126.3° | 126.5° |
C13 | C12 | H8 | 125.9° | 125.0° |
H2 | N01 | H3 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C02 | N03 | C15 | 179.4° | 179.9° |
N01 | C02 | N03 | N04 | 179.8° | 179.9° |
N01 | C02 | C15 | C16 | 0.6° | 0.0° |
N01 | C02 | C15 | C05 | 178.4° | 179.7° |
C02 | N01 | H2 | H3 | 120.0° | 179.9° |
N01 | C02 | N03 | H4 | 0.3° | 0.1° |
C02 | N03 | N04 | H4 | 180.0° | 179.9° |
N03 | C02 | C15 | C16 | 178.8° | 179.9° |
N03 | C02 | C15 | C05 | 1.1° | 0.3° |
C02 | N03 | N04 | C05 | 2.5° | 0.3° |
N03 | C02 | N01 | H2 | 180.0° | 0.1° |
N03 | C02 | N01 | H3 | 60.0° | 180.0° |
C15 | C02 | N03 | N04 | 0.8° | 0.0° |
C02 | C15 | C16 | C05 | 177.1° | 179.6° |
C02 | C15 | C16 | N17 | 0.9° | 132.9° |
C02 | C15 | C05 | N04 | 2.6° | 0.5° |
C02 | C15 | C05 | C06 | 173.9° | 179.7° |
C15 | C02 | N01 | H2 | 0.7° | 180.0° |
C15 | C02 | N01 | H3 | 119.3° | 0.0° |
C15 | C02 | N03 | H4 | 179.2° | 179.9° |
N03 | N04 | C05 | C15 | 3.2° | 0.5° |
N03 | N04 | C05 | C06 | 175.6° | 179.7° |
C16 | C15 | C05 | N04 | 180.0° | 179.9° |
C16 | C15 | C05 | C06 | 8.7° | 0.1° |
C05 | C15 | C16 | N17 | 176.2° | 47.5° |
C15 | C05 | N04 | C06 | 172.4° | 179.8° |
C15 | C05 | C06 | C07 | 4.3° | 35.0° |
C15 | C05 | C06 | C14 | 167.1° | 145.0° |
N04 | C05 | C06 | C07 | 174.7° | 145.2° |
N04 | C05 | C06 | C14 | 3.3° | 34.8° |
C05 | N04 | N03 | H4 | 177.5° | 179.8° |
C05 | C06 | C07 | C14 | 170.9° | 180.0° |
C05 | C06 | C07 | C08 | 175.4° | 179.7° |
C05 | C06 | C14 | C10 | 175.8° | 180.0° |
C05 | C06 | C07 | H5 | 4.6° | 0.1° |
C05 | C06 | C14 | H9 | 4.2° | 0.1° |
C06 | C07 | C08 | H5 | 180.0° | 179.8° |
C07 | C06 | C14 | C10 | 4.4° | 0.0° |
C06 | C07 | C08 | C09 | 2.3° | 0.5° |
C06 | C07 | C08 | H6 | 177.6° | 180.0° |
C07 | C06 | C14 | H9 | 175.6° | 180.0° |
C14 | C06 | C07 | C08 | 4.5° | 0.2° |
C06 | C14 | C10 | H9 | 180.0° | 179.9° |
C06 | C14 | C10 | C09 | 2.3° | 0.0° |
C06 | C14 | C10 | N11 | 177.6° | 179.7° |
C14 | C06 | C07 | H5 | 175.5° | 180.0° |
C07 | C08 | C09 | H6 | 180.0° | 179.5° |
C07 | C08 | C09 | C10 | 0.3° | 0.5° |
C07 | C08 | C09 | C13 | 179.6° | 179.5° |
C14 | C10 | C09 | C08 | 0.3° | 0.2° |
C14 | C10 | C09 | N11 | 179.9° | 179.7° |
C14 | C10 | C09 | C13 | 179.7° | 179.7° |
C14 | C10 | N11 | C12 | 179.8° | 179.7° |
C14 | C10 | N11 | H7 | 0.2° | 0.4° |
C08 | C09 | C10 | C13 | 179.9° | 180.0° |
C08 | C09 | C10 | N11 | 179.6° | 180.0° |
C08 | C09 | C13 | C12 | 179.6° | 180.0° |
C08 | C09 | C13 | H1 | 0.3° | 0.0° |
C09 | C08 | C07 | H5 | 177.7° | 179.7° |
C09 | C10 | N11 | C12 | 0.3° | 0.0° |
C10 | C09 | C13 | C12 | 0.4° | 0.0° |
C10 | C09 | C13 | H1 | 179.6° | 180.0° |
C10 | C09 | C08 | H6 | 179.7° | 180.0° |
C09 | C10 | N11 | H7 | 179.7° | 180.0° |
C09 | C10 | C14 | H9 | 177.7° | 180.0° |
N11 | C10 | C09 | C13 | 0.4° | 0.0° |
C10 | N11 | C12 | H7 | 180.0° | 179.9° |
C10 | N11 | C12 | C13 | 0.0° | 0.0° |
C10 | N11 | C12 | H8 | 180.0° | 179.9° |
N11 | C10 | C14 | H9 | 2.4° | 0.3° |
C09 | C13 | C12 | N11 | 0.3° | 0.0° |
C09 | C13 | C12 | H1 | 180.0° | 180.0° |
C13 | C09 | C08 | H6 | 0.4° | 0.0° |
C09 | C13 | C12 | H8 | 179.7° | 179.9° |
N11 | C12 | C13 | H8 | 180.0° | 179.9° |
N11 | C12 | C13 | H1 | 179.7° | 180.0° |
C13 | C12 | N11 | H7 | 180.0° | 180.0° |
H1 | C13 | C12 | H8 | 0.3° | 0.1° |
H5 | C07 | C08 | H6 | 2.3° | 0.2° |
H7 | N11 | C12 | H8 | 0.0° | 0.1° |