7ZL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
C3 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C5 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
C7 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C7 | N14 | sing | 1.40Å | 1.41Å | |
N14 | C9 | sing | 1.39Å | 1.40Å | |
C9 | N12 | doub | 1.33Å | 1.34Å | Aromatic |
C9 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
CL1 | C8 | sing | 1.74Å | 1.72Å | |
N12 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
C8 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
C10 | N13 | sing | 1.38Å | 1.38Å | |
C10 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
C6 | N11 | sing | 1.32Å | 1.34Å | Aromatic |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C1 | H4 | sing | 1.08Å | 1.08Å | |
C2 | H5 | sing | 1.08Å | 1.08Å | |
C3 | H6 | sing | 1.08Å | 1.08Å | |
N13 | H7 | sing | 0.97Å | 1.00Å | |
N13 | H8 | sing | 0.97Å | 1.00Å | |
N14 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C3 | C5 | 121.7° | 120.1° |
C3 | C1 | C2 | 118.1° | 120.1° |
C3 | C1 | H4 | 120.9° | 119.9° |
C1 | C3 | H6 | 119.1° | 120.0° |
C3 | C5 | C7 | 120.1° | 119.9° |
C3 | C5 | H2 | 120.0° | 120.1° |
C5 | C3 | H6 | 119.1° | 119.9° |
C1 | C2 | C4 | 120.6° | 120.1° |
C2 | C1 | H4 | 120.9° | 120.0° |
C1 | C2 | H5 | 119.7° | 119.9° |
C5 | C7 | C4 | 118.7° | 119.8° |
C5 | C7 | N14 | 120.3° | 120.1° |
C7 | C5 | H2 | 120.0° | 120.0° |
C2 | C4 | C7 | 120.8° | 119.9° |
C2 | C4 | H1 | 119.6° | 120.1° |
C4 | C2 | H5 | 119.7° | 120.0° |
C4 | C7 | N14 | 121.0° | 120.1° |
C7 | C4 | H1 | 119.6° | 120.0° |
C7 | N14 | C9 | 126.1° | 120.0° |
C7 | N14 | H9 | 117.0° | 120.0° |
N14 | C9 | N12 | 118.9° | 120.5° |
N14 | C9 | C8 | 120.7° | 120.5° |
C9 | N14 | H9 | 116.9° | 120.0° |
N12 | C9 | C8 | 120.5° | 119.0° |
C9 | N12 | C10 | 116.8° | 120.7° |
C9 | C8 | CL1 | 123.5° | 120.8° |
C9 | C8 | C6 | 118.3° | 118.4° |
CL1 | C8 | C6 | 118.2° | 120.8° |
N12 | C10 | N13 | 116.0° | 119.2° |
N12 | C10 | N11 | 126.8° | 121.6° |
C8 | C6 | N11 | 122.6° | 119.3° |
C8 | C6 | H3 | 118.7° | 120.3° |
N13 | C10 | N11 | 117.2° | 119.2° |
C10 | N13 | H7 | 109.5° | 120.0° |
C10 | N13 | H8 | 109.5° | 120.1° |
C10 | N11 | C6 | 115.0° | 121.0° |
N11 | C6 | H3 | 118.7° | 120.4° |
H7 | N13 | H8 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C3 | C5 | H6 | 180.0° | 179.6° |
C3 | C1 | C2 | H4 | 180.0° | 179.9° |
C1 | C3 | C5 | C7 | 0.2° | 0.3° |
C3 | C1 | C2 | C4 | 0.6° | 0.1° |
C1 | C3 | C5 | H2 | 179.8° | 179.7° |
C3 | C1 | C2 | H5 | 179.4° | 180.0° |
C5 | C3 | C1 | C2 | 0.3° | 0.3° |
C3 | C5 | C7 | H2 | 180.0° | 180.0° |
C3 | C5 | C7 | C4 | 0.5° | 0.0° |
C3 | C5 | C7 | N14 | 179.8° | 180.0° |
C5 | C3 | C1 | H4 | 179.6° | 179.7° |
C1 | C2 | C4 | H5 | 180.0° | 180.0° |
C1 | C2 | C4 | C7 | 0.3° | 0.2° |
C1 | C2 | C4 | H1 | 179.8° | 179.9° |
C2 | C1 | C3 | H6 | 179.7° | 180.0° |
C5 | C7 | C4 | C2 | 0.3° | 0.3° |
C5 | C7 | C4 | N14 | 179.7° | 180.0° |
C5 | C7 | N14 | C9 | 131.2° | 144.2° |
C5 | C7 | C4 | H1 | 179.7° | 180.0° |
C7 | C5 | C3 | H6 | 179.8° | 179.9° |
C5 | C7 | N14 | H9 | 48.8° | 35.8° |
C2 | C4 | C7 | H1 | 180.0° | 179.7° |
C2 | C4 | C7 | N14 | 180.0° | 179.8° |
C4 | C2 | C1 | H4 | 179.4° | 180.0° |
C4 | C7 | N14 | C9 | 48.4° | 35.8° |
C4 | C7 | C5 | H2 | 179.5° | 180.0° |
C7 | C4 | C2 | H5 | 179.7° | 179.7° |
C4 | C7 | N14 | H9 | 131.6° | 144.2° |
C7 | N14 | C9 | H9 | 180.0° | 180.0° |
C7 | N14 | C9 | N12 | 2.2° | 5.7° |
C7 | N14 | C9 | C8 | 177.9° | 174.3° |
N14 | C7 | C4 | H1 | 0.0° | 0.0° |
N14 | C7 | C5 | H2 | 0.2° | 0.1° |
N14 | C9 | N12 | C8 | 179.9° | 180.0° |
N14 | C9 | C8 | CL1 | 0.7° | 0.0° |
N14 | C9 | N12 | C10 | 179.3° | 179.7° |
N14 | C9 | C8 | C6 | 178.9° | 180.0° |
N12 | C9 | C8 | CL1 | 179.2° | 180.0° |
N12 | C9 | C8 | C6 | 1.1° | 0.0° |
C9 | N12 | C10 | N13 | 179.9° | 179.9° |
C9 | N12 | C10 | N11 | 0.3° | 0.6° |
N12 | C9 | N14 | H9 | 177.8° | 174.3° |
C9 | C8 | CL1 | C6 | 179.6° | 180.0° |
C8 | C9 | N12 | C10 | 0.7° | 0.3° |
C9 | C8 | C6 | N11 | 0.6° | 0.0° |
C9 | C8 | C6 | H3 | 179.4° | 179.8° |
C8 | C9 | N14 | H9 | 2.1° | 5.7° |
CL1 | C8 | C6 | N11 | 179.7° | 180.0° |
CL1 | C8 | C6 | H3 | 0.3° | 0.2° |
N12 | C10 | N13 | N11 | 179.8° | 179.5° |
N12 | C10 | N11 | C6 | 0.8° | 0.5° |
N12 | C10 | N13 | H7 | 0.0° | 179.5° |
N12 | C10 | N13 | H8 | 120.0° | 0.5° |
C8 | C6 | N11 | C10 | 0.3° | 0.2° |
C8 | C6 | N11 | H3 | 180.0° | 179.8° |
N13 | C10 | N11 | C6 | 179.4° | 180.0° |
C10 | N13 | H7 | H8 | 120.0° | 180.0° |
C10 | N11 | C6 | H3 | 179.7° | 180.0° |
N11 | C10 | N13 | H7 | 179.9° | 0.0° |
N11 | C10 | N13 | H8 | 59.8° | 180.0° |
H1 | C4 | C2 | H5 | 0.2° | 0.0° |
H2 | C5 | C3 | H6 | 0.2° | 0.0° |
H4 | C1 | C2 | H5 | 0.6° | 0.0° |
H4 | C1 | C3 | H6 | 0.3° | 0.1° |