F4Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL9 | C06 | sing | 1.74Å | 1.73Å | |
C06 | N05 | sing | 1.32Å | 1.35Å | Aromatic |
C06 | C07 | doub | 1.38Å | 1.34Å | Aromatic |
CL8 | C07 | sing | 1.74Å | 1.73Å | |
N05 | C03 | doub | 1.32Å | 1.37Å | Aromatic |
C07 | C01 | sing | 1.39Å | 1.41Å | Aromatic |
C03 | O04 | sing | 1.36Å | 1.24Å | |
C03 | C02 | sing | 1.39Å | 1.45Å | Aromatic |
C01 | C02 | doub | 1.38Å | 1.35Å | Aromatic |
C02 | CL1 | sing | 1.74Å | 1.73Å | |
C01 | H1 | sing | 1.08Å | 1.08Å | |
O04 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL9 | C06 | N05 | 115.5° | 119.6° |
CL9 | C06 | C07 | 119.4° | 119.6° |
N05 | C06 | C07 | 125.2° | 120.8° |
C06 | N05 | C03 | 121.5° | 121.7° |
C06 | C07 | CL8 | 123.2° | 120.4° |
C06 | C07 | C01 | 116.3° | 119.2° |
CL8 | C07 | C01 | 120.5° | 120.4° |
N05 | C03 | O04 | 120.3° | 119.7° |
N05 | C03 | C02 | 114.5° | 120.6° |
C07 | C01 | C02 | 119.9° | 118.5° |
C07 | C01 | H1 | 120.0° | 120.7° |
O04 | C03 | C02 | 125.2° | 119.7° |
C03 | O04 | H2 | 109.5° | 114.0° |
C03 | C02 | C01 | 122.6° | 119.1° |
C03 | C02 | CL1 | 117.0° | 120.4° |
C01 | C02 | CL1 | 120.4° | 120.4° |
C02 | C01 | H1 | 120.0° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL9 | C06 | N05 | C07 | 180.0° | 179.7° |
CL9 | C06 | C07 | CL8 | 0.0° | 0.3° |
CL9 | C06 | N05 | C03 | 180.0° | 180.0° |
CL9 | C06 | C07 | C01 | 180.0° | 179.7° |
N05 | C06 | C07 | CL8 | 180.0° | 180.0° |
N05 | C06 | C07 | C01 | 0.0° | 0.6° |
C06 | N05 | C03 | O04 | 180.0° | 180.0° |
C06 | N05 | C03 | C02 | 0.0° | 0.0° |
C06 | C07 | CL8 | C01 | 180.0° | 179.4° |
C07 | C06 | N05 | C03 | 0.0° | 0.3° |
C06 | C07 | C01 | C02 | 0.0° | 0.6° |
C06 | C07 | C01 | H1 | 180.0° | 179.7° |
CL8 | C07 | C01 | C02 | 180.0° | 180.0° |
CL8 | C07 | C01 | H1 | 0.0° | 0.2° |
N05 | C03 | O04 | C02 | 180.0° | 180.0° |
N05 | C03 | C02 | C01 | 0.0° | 0.0° |
N05 | C03 | C02 | CL1 | 180.0° | 179.9° |
N05 | C03 | O04 | H2 | 0.0° | 90.0° |
C07 | C01 | C02 | C03 | 0.0° | 0.3° |
C07 | C01 | C02 | H1 | 180.0° | 179.8° |
C07 | C01 | C02 | CL1 | 180.0° | 179.8° |
O04 | C03 | C02 | C01 | 180.0° | 180.0° |
O04 | C03 | C02 | CL1 | 0.0° | 0.1° |
C03 | C02 | C01 | CL1 | 180.0° | 179.9° |
C03 | C02 | C01 | H1 | 180.0° | 180.0° |
C02 | C03 | O04 | H2 | 180.0° | 90.0° |
CL1 | C02 | C01 | H1 | 0.0° | 0.0° |