07L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | C9 | doub | 1.22Å | 1.24Å | |
C8 | C9 | sing | 1.41Å | 1.39Å | |
C8 | C7 | doub | 1.36Å | 1.39Å | |
C9 | O10 | sing | 1.34Å | 1.36Å | |
C7 | C2 | sing | 1.46Å | 1.40Å | |
O10 | C3 | sing | 1.35Å | 1.37Å | |
C2 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
C1 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
C5 | O12 | sing | 1.36Å | 1.36Å | |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C7 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
O12 | H4 | sing | 0.97Å | 0.95Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C1 | H6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C9 | C8 | 123.2° | 119.1° |
O11 | C9 | O10 | 116.9° | 119.2° |
C9 | C8 | C7 | 119.7° | 119.8° |
C8 | C9 | O10 | 119.8° | 121.7° |
C9 | C8 | H1 | 120.2° | 120.1° |
C8 | C7 | C2 | 119.8° | 118.2° |
C7 | C8 | H1 | 120.2° | 120.1° |
C8 | C7 | H2 | 120.1° | 120.9° |
C9 | O10 | C3 | 121.5° | 121.5° |
C7 | C2 | C3 | 118.9° | 119.0° |
C7 | C2 | C1 | 121.5° | 121.0° |
C2 | C7 | H2 | 120.1° | 120.8° |
O10 | C3 | C2 | 120.3° | 119.8° |
O10 | C3 | C4 | 118.4° | 120.8° |
C3 | C2 | C1 | 119.6° | 120.0° |
C2 | C3 | C4 | 121.3° | 119.4° |
C2 | C1 | C6 | 119.7° | 119.8° |
C2 | C1 | H6 | 120.2° | 120.1° |
C3 | C4 | C5 | 119.2° | 119.8° |
C3 | C4 | H3 | 120.4° | 120.0° |
C1 | C6 | C5 | 120.2° | 120.4° |
C1 | C6 | H5 | 119.9° | 119.8° |
C6 | C1 | H6 | 120.2° | 120.1° |
C4 | C5 | C6 | 120.2° | 120.5° |
C4 | C5 | O12 | 120.2° | 119.8° |
C5 | C4 | H3 | 120.4° | 120.1° |
C6 | C5 | O12 | 119.6° | 119.7° |
C5 | C6 | H5 | 119.9° | 119.8° |
C5 | O12 | H4 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C9 | C8 | O10 | 179.3° | 179.7° |
O11 | C9 | C8 | C7 | 179.0° | 180.0° |
O11 | C9 | O10 | C3 | 178.7° | 179.8° |
O11 | C9 | C8 | H1 | 1.0° | 0.1° |
C9 | C8 | C7 | H1 | 180.0° | 180.0° |
C9 | C8 | C7 | C2 | 0.0° | 0.0° |
C8 | C9 | O10 | C3 | 0.7° | 0.5° |
C9 | C8 | C7 | H2 | 180.0° | 180.0° |
C7 | C8 | C9 | O10 | 0.4° | 0.3° |
C8 | C7 | C2 | H2 | 180.0° | 179.9° |
C8 | C7 | C2 | C3 | 0.0° | 0.0° |
C8 | C7 | C2 | C1 | 179.1° | 180.0° |
C9 | O10 | C3 | C2 | 0.7° | 0.5° |
C9 | O10 | C3 | C4 | 179.1° | 179.7° |
O10 | C9 | C8 | H1 | 179.6° | 179.7° |
C7 | C2 | C3 | O10 | 0.3° | 0.2° |
C7 | C2 | C3 | C1 | 179.1° | 180.0° |
C7 | C2 | C3 | C4 | 179.5° | 180.0° |
C7 | C2 | C1 | C6 | 179.8° | 180.0° |
C2 | C7 | C8 | H1 | 180.0° | 180.0° |
C7 | C2 | C1 | H6 | 0.2° | 0.0° |
O10 | C3 | C2 | C4 | 179.8° | 179.8° |
O10 | C3 | C2 | C1 | 179.4° | 179.8° |
O10 | C3 | C4 | C5 | 179.6° | 179.7° |
O10 | C3 | C4 | H3 | 0.4° | 0.2° |
C3 | C2 | C1 | C6 | 0.7° | 0.0° |
C2 | C3 | C4 | C5 | 0.2° | 0.0° |
C3 | C2 | C7 | H2 | 180.0° | 180.0° |
C2 | C3 | C4 | H3 | 179.8° | 180.0° |
C3 | C2 | C1 | H6 | 179.3° | 180.0° |
C1 | C2 | C3 | C4 | 0.4° | 0.0° |
C2 | C1 | C6 | H6 | 180.0° | 180.0° |
C2 | C1 | C6 | C5 | 1.0° | 0.0° |
C1 | C2 | C7 | H2 | 0.9° | 0.0° |
C2 | C1 | C6 | H5 | 179.0° | 180.0° |
C3 | C4 | C5 | H3 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.5° | 0.0° |
C3 | C4 | C5 | O12 | 179.9° | 180.0° |
C1 | C6 | C5 | C4 | 0.9° | 0.0° |
C1 | C6 | C5 | H5 | 180.0° | 180.0° |
C1 | C6 | C5 | O12 | 179.6° | 180.0° |
C4 | C5 | C6 | O12 | 179.6° | 180.0° |
C4 | C5 | O12 | H4 | 180.0° | 90.0° |
C4 | C5 | C6 | H5 | 179.1° | 180.0° |
C6 | C5 | C4 | H3 | 179.5° | 180.0° |
C6 | C5 | O12 | H4 | 0.5° | 90.0° |
C5 | C6 | C1 | H6 | 179.0° | 180.0° |
O12 | C5 | C4 | H3 | 0.0° | 0.1° |
O12 | C5 | C6 | H5 | 0.4° | 0.1° |
H1 | C8 | C7 | H2 | 0.0° | 0.0° |
H5 | C6 | C1 | H6 | 1.0° | 0.0° |