8NF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N71 | C07 | sing | 1.40Å | 1.45Å | |
C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | C02 | doub | 1.39Å | 1.35Å | Aromatic |
C06 | N05 | doub | 1.32Å | 1.35Å | Aromatic |
C01 | C02 | sing | 1.51Å | 1.53Å | |
C02 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
N05 | C04 | sing | 1.32Å | 1.32Å | Aromatic |
C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
C04 | C08 | sing | 1.51Å | 1.53Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
N71 | H9 | sing | 0.97Å | 1.00Å | |
N71 | H10 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N71 | C07 | C06 | 115.4° | 120.5° |
N71 | C07 | C02 | 124.3° | 120.5° |
C07 | N71 | H9 | 109.5° | 120.0° |
C07 | N71 | H10 | 109.5° | 120.0° |
C06 | C07 | C02 | 120.3° | 119.0° |
C07 | C06 | N05 | 117.5° | 120.7° |
C07 | C06 | H5 | 121.3° | 119.6° |
C07 | C02 | C01 | 119.2° | 120.8° |
C07 | C02 | C03 | 121.5° | 118.4° |
C06 | N05 | C04 | 123.4° | 121.8° |
N05 | C06 | H5 | 121.3° | 119.7° |
C01 | C02 | C03 | 119.3° | 120.8° |
C02 | C01 | H1 | 109.5° | 109.4° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
C02 | C03 | C04 | 117.1° | 119.2° |
C02 | C03 | H4 | 121.4° | 120.4° |
N05 | C04 | C03 | 120.2° | 120.9° |
N05 | C04 | C08 | 117.4° | 119.6° |
C03 | C04 | C08 | 122.4° | 119.5° |
C04 | C03 | H4 | 121.5° | 120.4° |
C04 | C08 | H6 | 109.5° | 109.5° |
C04 | C08 | H7 | 109.4° | 109.4° |
C04 | C08 | H8 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.4° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H6 | C08 | H7 | 109.5° | 109.5° |
H6 | C08 | H8 | 109.5° | 109.5° |
H7 | C08 | H8 | 109.5° | 109.5° |
H9 | N71 | H10 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N71 | C07 | C06 | C02 | 179.6° | 180.0° |
N71 | C07 | C06 | N05 | 179.9° | 180.0° |
N71 | C07 | C02 | C01 | 1.4° | 0.0° |
N71 | C07 | C02 | C03 | 179.3° | 179.7° |
N71 | C07 | C06 | H5 | 0.1° | 0.2° |
C07 | N71 | H9 | H10 | 120.0° | 179.9° |
C07 | C06 | N05 | H5 | 180.0° | 179.8° |
C06 | C07 | C02 | C01 | 179.1° | 180.0° |
C06 | C07 | C02 | C03 | 1.2° | 0.3° |
C07 | C06 | N05 | C04 | 0.2° | 0.2° |
C06 | C07 | N71 | H9 | 180.0° | 0.0° |
C06 | C07 | N71 | H10 | 60.0° | 180.0° |
C02 | C07 | C06 | N05 | 0.5° | 0.0° |
C07 | C02 | C01 | C03 | 177.9° | 179.7° |
C07 | C02 | C03 | C04 | 1.6° | 0.3° |
C07 | C02 | C01 | H1 | 89.0° | 90.2° |
C07 | C02 | C01 | H2 | 151.0° | 29.7° |
C07 | C02 | C01 | H3 | 31.0° | 149.7° |
C07 | C02 | C03 | H4 | 178.4° | 179.8° |
C02 | C07 | C06 | H5 | 179.5° | 179.8° |
C02 | C07 | N71 | H9 | 0.5° | 180.0° |
C02 | C07 | N71 | H10 | 119.6° | 0.0° |
C06 | N05 | C04 | C03 | 0.6° | 0.2° |
C06 | N05 | C04 | C08 | 178.9° | 179.8° |
C01 | C02 | C03 | C04 | 179.5° | 180.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | C03 | H4 | 0.5° | 0.1° |
C02 | C03 | C04 | N05 | 1.3° | 0.0° |
C02 | C03 | C04 | H4 | 180.0° | 179.9° |
C02 | C03 | C04 | C08 | 179.4° | 180.0° |
C03 | C02 | C01 | H1 | 89.0° | 90.0° |
C03 | C02 | C01 | H2 | 31.0° | 150.0° |
C03 | C02 | C01 | H3 | 151.0° | 30.0° |
N05 | C04 | C03 | C08 | 178.2° | 180.0° |
N05 | C04 | C03 | H4 | 178.7° | 180.0° |
C04 | N05 | C06 | H5 | 179.8° | 180.0° |
N05 | C04 | C08 | H6 | 0.0° | 89.9° |
N05 | C04 | C08 | H7 | 120.0° | 30.0° |
N05 | C04 | C08 | H8 | 120.0° | 150.0° |
C03 | C04 | C08 | H6 | 178.2° | 90.0° |
C03 | C04 | C08 | H7 | 61.8° | 150.0° |
C03 | C04 | C08 | H8 | 58.2° | 30.0° |
C08 | C04 | C03 | H4 | 0.5° | 0.1° |
C04 | C08 | H6 | H7 | 120.0° | 119.9° |
C04 | C08 | H6 | H8 | 120.0° | 120.0° |
C04 | C08 | H7 | H8 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H6 | C08 | H7 | H8 | 120.0° | 120.0° |