6ZX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
C7 | C5 | sing | 1.47Å | 1.48Å | |
C10 | CL11 | sing | 1.74Å | 1.72Å | |
C4 | C5 | doub | 1.35Å | 1.35Å | |
C4 | C2 | sing | 1.46Å | 1.52Å | |
C5 | C6 | sing | 1.51Å | 1.49Å | |
C2 | O3 | doub | 1.22Å | 1.27Å | |
C2 | O1 | sing | 1.35Å | 1.27Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H61C | sing | 1.09Å | 1.10Å | |
C6 | H62C | sing | 1.09Å | 1.10Å | |
C6 | H63C | sing | 1.09Å | 1.10Å | |
O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | C8 | C7 | 120.6° | 119.8° |
C8 | C9 | C10 | 119.3° | 120.2° |
C9 | C8 | H8 | 119.7° | 120.1° |
C8 | C9 | H9 | 120.4° | 119.9° |
C8 | C7 | C13 | 119.0° | 119.7° |
C8 | C7 | C5 | 118.6° | 120.2° |
C7 | C8 | H8 | 119.7° | 120.1° |
C12 | C13 | C7 | 121.2° | 119.9° |
C13 | C12 | C10 | 118.5° | 120.1° |
C12 | C13 | H13 | 119.4° | 120.0° |
C13 | C12 | H12 | 120.8° | 119.9° |
C13 | C7 | C5 | 122.4° | 120.1° |
C7 | C13 | H13 | 119.4° | 120.1° |
C9 | C10 | C12 | 121.5° | 120.3° |
C9 | C10 | CL11 | 118.0° | 119.8° |
C10 | C9 | H9 | 120.3° | 120.0° |
C12 | C10 | CL11 | 120.6° | 119.8° |
C10 | C12 | H12 | 120.8° | 119.9° |
C7 | C5 | C4 | 115.6° | 120.0° |
C7 | C5 | C6 | 118.1° | 120.0° |
C5 | C4 | C2 | 125.4° | 120.0° |
C4 | C5 | C6 | 126.2° | 120.0° |
C5 | C4 | H4 | 117.3° | 120.0° |
C4 | C2 | O3 | 119.2° | 120.0° |
C4 | C2 | O1 | 113.5° | 120.0° |
C2 | C4 | H4 | 117.3° | 120.0° |
C5 | C6 | H61C | 109.5° | 109.5° |
C5 | C6 | H62C | 109.5° | 109.4° |
C5 | C6 | H63C | 109.5° | 109.4° |
O3 | C2 | O1 | 127.2° | 120.0° |
C2 | O1 | H1 | 109.5° | 114.0° |
H61C | C6 | H62C | 109.5° | 109.5° |
H61C | C6 | H63C | 109.5° | 109.5° |
H62C | C6 | H63C | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | C8 | C7 | H8 | 180.0° | 179.7° |
C9 | C8 | C7 | C13 | 0.4° | 0.0° |
C8 | C9 | C10 | H9 | 180.0° | 179.9° |
C8 | C9 | C10 | C12 | 0.1° | 0.1° |
C9 | C8 | C7 | C5 | 179.1° | 179.9° |
C8 | C9 | C10 | CL11 | 179.8° | 180.0° |
C8 | C7 | C13 | C12 | 0.8° | 0.0° |
C8 | C7 | C13 | C5 | 178.6° | 179.9° |
C7 | C8 | C9 | C10 | 0.1° | 0.0° |
C8 | C7 | C5 | C4 | 125.5° | 65.0° |
C8 | C7 | C5 | C6 | 51.2° | 114.9° |
C7 | C8 | C9 | H9 | 179.9° | 179.9° |
C8 | C7 | C13 | H13 | 179.2° | 180.0° |
C12 | C13 | C7 | H13 | 180.0° | 180.0° |
C13 | C12 | C10 | C9 | 0.4° | 0.1° |
C13 | C12 | C10 | H12 | 180.0° | 180.0° |
C12 | C13 | C7 | C5 | 179.4° | 180.0° |
C13 | C12 | C10 | CL11 | 179.5° | 180.0° |
C7 | C13 | C12 | C10 | 0.8° | 0.0° |
C13 | C7 | C5 | C4 | 53.2° | 115.1° |
C13 | C7 | C5 | C6 | 130.1° | 65.0° |
C13 | C7 | C8 | H8 | 179.6° | 179.7° |
C7 | C13 | C12 | H12 | 179.2° | 180.0° |
C9 | C10 | C12 | CL11 | 179.9° | 180.0° |
C10 | C9 | C8 | H8 | 179.9° | 179.7° |
C9 | C10 | C12 | H12 | 179.5° | 179.9° |
C12 | C10 | C9 | H9 | 179.9° | 180.0° |
C10 | C12 | C13 | H13 | 179.2° | 179.9° |
C7 | C5 | C4 | C6 | 176.4° | 179.9° |
C7 | C5 | C4 | C2 | 178.3° | 172.9° |
C5 | C7 | C8 | H8 | 0.9° | 0.3° |
C5 | C7 | C13 | H13 | 0.6° | 0.1° |
C7 | C5 | C4 | H4 | 1.7° | 7.1° |
C7 | C5 | C6 | H61C | 180.0° | 95.5° |
C7 | C5 | C6 | H62C | 60.0° | 144.6° |
C7 | C5 | C6 | H63C | 60.0° | 24.6° |
CL11 | C10 | C9 | H9 | 0.2° | 0.1° |
CL11 | C10 | C12 | H12 | 0.6° | 0.0° |
C5 | C4 | C2 | H4 | 180.0° | 179.9° |
C5 | C4 | C2 | O3 | 37.6° | 6.1° |
C5 | C4 | C2 | O1 | 145.0° | 174.0° |
C4 | C5 | C6 | H61C | 3.7° | 84.5° |
C4 | C5 | C6 | H62C | 116.3° | 35.5° |
C4 | C5 | C6 | H63C | 123.7° | 155.5° |
C2 | C4 | C5 | C6 | 1.9° | 7.0° |
C4 | C2 | O3 | O1 | 177.1° | 179.9° |
C4 | C2 | O1 | H1 | 177.2° | 180.0° |
C6 | C5 | C4 | H4 | 178.1° | 172.9° |
C5 | C6 | H61C | H62C | 120.0° | 120.0° |
C5 | C6 | H61C | H63C | 120.0° | 120.0° |
C5 | C6 | H62C | H63C | 120.0° | 120.0° |
O3 | C2 | C4 | H4 | 142.5° | 174.0° |
O3 | C2 | O1 | H1 | 0.0° | 0.1° |
O1 | C2 | C4 | H4 | 35.0° | 5.9° |
H8 | C8 | C9 | H9 | 0.1° | 0.4° |
H13 | C13 | C12 | H12 | 0.8° | 0.1° |
H61C | C6 | H62C | H63C | 120.0° | 120.0° |