4CL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL9 | C4 | sing | 1.74Å | 1.78Å | |
C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C1 | O7 | sing | 1.36Å | 1.36Å | |
C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | O8 | sing | 1.36Å | 1.35Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL9 | C4 | C5 | 120.6° | 119.9° |
CL9 | C4 | C3 | 117.9° | 119.9° |
C5 | C4 | C3 | 121.5° | 120.1° |
C4 | C5 | C6 | 119.0° | 120.1° |
C4 | C5 | H5 | 120.5° | 119.9° |
C4 | C3 | C2 | 118.9° | 120.0° |
C4 | C3 | H3 | 120.5° | 120.0° |
C6 | C5 | H5 | 120.5° | 120.0° |
C5 | C6 | C1 | 119.8° | 120.0° |
C5 | C6 | H6 | 120.1° | 120.0° |
C1 | C6 | H6 | 120.1° | 120.0° |
C6 | C1 | O7 | 120.8° | 120.1° |
C6 | C1 | C2 | 120.1° | 119.9° |
O7 | C1 | C2 | 119.1° | 120.0° |
C1 | O7 | HO7 | 109.5° | 114.0° |
C1 | C2 | C3 | 120.7° | 119.9° |
C1 | C2 | O8 | 120.0° | 120.0° |
C3 | C2 | O8 | 119.3° | 120.1° |
C2 | C3 | H3 | 120.5° | 120.0° |
C2 | O8 | HO8 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL9 | C4 | C5 | C3 | 179.7° | 179.7° |
CL9 | C4 | C5 | C6 | 179.7° | 179.9° |
CL9 | C4 | C5 | H5 | 0.3° | 0.0° |
CL9 | C4 | C3 | C2 | 179.9° | 179.8° |
CL9 | C4 | C3 | H3 | 0.1° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C1 | 0.1° | 0.0° |
C4 | C5 | C6 | H6 | 179.9° | 180.0° |
C5 | C4 | C3 | C2 | 0.3° | 0.5° |
C5 | C4 | C3 | H3 | 179.7° | 179.7° |
C3 | C4 | C5 | C6 | 0.1° | 0.2° |
C3 | C4 | C5 | H5 | 179.9° | 179.7° |
C4 | C3 | C2 | C1 | 0.4° | 0.5° |
C4 | C3 | C2 | H3 | 180.0° | 179.8° |
C4 | C3 | C2 | O8 | 179.4° | 179.7° |
C5 | C6 | C1 | H6 | 180.0° | 179.9° |
C5 | C6 | C1 | O7 | 179.9° | 179.9° |
C5 | C6 | C1 | C2 | 0.2° | 0.0° |
H5 | C5 | C6 | C1 | 180.0° | 180.0° |
H5 | C5 | C6 | H6 | 0.1° | 0.1° |
C6 | C1 | O7 | C2 | 179.9° | 180.0° |
C6 | C1 | O7 | HO7 | 109.3° | 90.0° |
C6 | C1 | C2 | C3 | 0.4° | 0.2° |
C6 | C1 | C2 | O8 | 179.4° | 179.9° |
H6 | C6 | C1 | O7 | 0.1° | 0.0° |
H6 | C6 | C1 | C2 | 179.7° | 180.0° |
O7 | C1 | C2 | C3 | 179.7° | 179.8° |
O7 | C1 | C2 | O8 | 0.7° | 0.1° |
C2 | C1 | O7 | HO7 | 70.8° | 90.0° |
C1 | C2 | C3 | O8 | 179.0° | 179.8° |
C1 | C2 | C3 | H3 | 179.6° | 179.7° |
C1 | C2 | O8 | HO8 | 40.7° | 90.0° |
C3 | C2 | O8 | HO8 | 138.3° | 89.8° |
O8 | C2 | C3 | H3 | 0.6° | 0.1° |