CLZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
C1 | N5 | sing | 1.38Å | 1.39Å | |
C1 | C9 | doub | 1.42Å | 1.47Å | Aromatic |
N2 | C3 | doub | 1.33Å | 1.39Å | Aromatic |
C3 | N4 | sing | 1.32Å | 1.39Å | Aromatic |
C3 | N6 | sing | 1.38Å | 1.34Å | |
N4 | C10 | doub | 1.34Å | 1.41Å | Aromatic |
N5 | H51 | sing | 0.97Å | 1.00Å | |
N5 | H52 | sing | 0.97Å | 1.00Å | |
N6 | H61 | sing | 0.97Å | 1.00Å | |
N6 | H62 | sing | 0.97Å | 1.00Å | |
C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
C7 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
C7 | N13 | sing | 1.40Å | 1.39Å | |
C8 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
C8 | CL | sing | 1.74Å | 1.72Å | |
C9 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
C10 | C11 | sing | 1.40Å | 1.44Å | Aromatic |
C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
N13 | H131 | sing | 0.97Å | 1.00Å | |
N13 | H132 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C1 | N5 | 115.2° | 120.8° |
N2 | C1 | C9 | 120.7° | 118.3° |
C1 | N2 | C3 | 121.3° | 121.4° |
N5 | C1 | C9 | 123.8° | 120.9° |
C1 | N5 | H51 | 109.5° | 120.0° |
C1 | N5 | H52 | 109.5° | 120.0° |
C1 | C9 | C8 | 125.8° | 121.9° |
C1 | C9 | C10 | 116.3° | 118.4° |
N2 | C3 | N4 | 121.7° | 122.8° |
N2 | C3 | N6 | 119.8° | 118.6° |
N4 | C3 | N6 | 118.4° | 118.6° |
C3 | N4 | C10 | 118.3° | 120.4° |
C3 | N6 | H61 | 109.5° | 120.0° |
C3 | N6 | H62 | 109.4° | 120.0° |
N4 | C10 | C9 | 121.5° | 118.7° |
N4 | C10 | C11 | 117.2° | 121.8° |
H51 | N5 | H52 | 109.5° | 120.0° |
H61 | N6 | H62 | 109.5° | 120.0° |
C8 | C7 | C12 | 117.9° | 120.5° |
C8 | C7 | N13 | 120.9° | 119.7° |
C7 | C8 | C9 | 121.5° | 119.4° |
C7 | C8 | CL | 115.5° | 120.3° |
C12 | C7 | N13 | 121.2° | 119.8° |
C7 | C12 | C11 | 123.4° | 121.0° |
C7 | C12 | H12 | 118.3° | 119.5° |
C7 | N13 | H131 | 109.5° | 120.0° |
C7 | N13 | H132 | 109.4° | 120.0° |
C9 | C8 | CL | 122.9° | 120.3° |
C8 | C9 | C10 | 117.9° | 119.7° |
C9 | C10 | C11 | 121.2° | 119.6° |
C10 | C11 | C12 | 118.0° | 119.8° |
C10 | C11 | H11 | 121.0° | 120.1° |
C12 | C11 | H11 | 121.0° | 120.1° |
C11 | C12 | H12 | 118.3° | 119.5° |
H131 | N13 | H132 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | N5 | C9 | 173.9° | 179.8° |
C1 | N2 | C3 | N4 | 2.3° | 0.0° |
C1 | N2 | C3 | N6 | 178.9° | 180.0° |
N2 | C1 | N5 | H51 | 0.0° | 42.6° |
N2 | C1 | N5 | H52 | 120.0° | 137.4° |
N2 | C1 | C9 | C8 | 175.5° | 180.0° |
N2 | C1 | C9 | C10 | 4.6° | 0.4° |
N5 | C1 | N2 | C3 | 179.2° | 180.0° |
C1 | N5 | H51 | H52 | 120.0° | 180.0° |
N5 | C1 | C9 | C8 | 2.0° | 0.2° |
N5 | C1 | C9 | C10 | 178.2° | 179.8° |
C9 | C1 | N2 | C3 | 5.2° | 0.2° |
C1 | C9 | C10 | N4 | 1.3° | 0.4° |
C9 | C1 | N5 | H51 | 173.9° | 137.1° |
C9 | C1 | N5 | H52 | 66.1° | 42.9° |
C1 | C9 | C8 | C7 | 179.7° | 179.6° |
C1 | C9 | C8 | C10 | 179.8° | 179.6° |
C1 | C9 | C8 | CL | 1.8° | 0.2° |
C1 | C9 | C10 | C11 | 179.5° | 179.8° |
N2 | C3 | N4 | N6 | 178.9° | 179.9° |
N2 | C3 | N4 | C10 | 1.1° | 0.1° |
N2 | C3 | N6 | H61 | 0.0° | 0.0° |
N2 | C3 | N6 | H62 | 120.0° | 180.0° |
N4 | C3 | N6 | H61 | 178.8° | 180.0° |
N4 | C3 | N6 | H62 | 58.8° | 0.0° |
C3 | N4 | C10 | C9 | 1.4° | 0.2° |
C3 | N4 | C10 | C11 | 176.8° | 180.0° |
N6 | C3 | N4 | C10 | 177.8° | 180.0° |
C3 | N6 | H61 | H62 | 120.0° | 180.0° |
N4 | C10 | C9 | C8 | 178.8° | 180.0° |
N4 | C10 | C9 | C11 | 178.2° | 179.8° |
N4 | C10 | C11 | C12 | 178.8° | 180.0° |
N4 | C10 | C11 | H11 | 1.2° | 0.0° |
C8 | C7 | C12 | N13 | 179.9° | 179.9° |
C7 | C8 | C9 | CL | 177.8° | 179.7° |
C7 | C8 | C9 | C10 | 0.5° | 0.0° |
C8 | C7 | C12 | C11 | 0.2° | 0.2° |
C8 | C7 | C12 | H12 | 179.8° | 180.0° |
C8 | C7 | N13 | H131 | 180.0° | 0.0° |
C8 | C7 | N13 | H132 | 60.0° | 180.0° |
C12 | C7 | C8 | C9 | 0.3° | 0.2° |
C12 | C7 | C8 | CL | 178.3° | 180.0° |
C7 | C12 | C11 | C10 | 0.3° | 0.0° |
C7 | C12 | C11 | H12 | 180.0° | 179.8° |
C7 | C12 | C11 | H11 | 179.7° | 179.9° |
C12 | C7 | N13 | H131 | 0.1° | 179.8° |
C12 | C7 | N13 | H132 | 119.9° | 0.1° |
N13 | C7 | C8 | C9 | 179.7° | 179.9° |
N13 | C7 | C8 | CL | 1.7° | 0.2° |
N13 | C7 | C12 | C11 | 179.8° | 180.0° |
N13 | C7 | C12 | H12 | 0.2° | 0.1° |
C7 | N13 | H131 | H132 | 120.0° | 180.0° |
C8 | C9 | C10 | C11 | 0.7° | 0.2° |
CL | C8 | C9 | C10 | 178.3° | 179.8° |
C9 | C10 | C11 | C12 | 0.6° | 0.2° |
C9 | C10 | C11 | H11 | 179.4° | 179.7° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | H12 | 179.7° | 179.8° |
H11 | C11 | C12 | H12 | 0.3° | 0.2° |