OVV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O09 | C08 | doub | 1.22Å | 1.27Å | |
C08 | O10 | sing | 1.35Å | 1.25Å | |
C08 | C06 | sing | 1.48Å | 1.53Å | |
C07 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
C07 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
C01 | C02 | sing | 1.51Å | 1.52Å | |
C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C04 | H5 | sing | 1.08Å | 1.08Å | |
C05 | H6 | sing | 1.08Å | 1.08Å | |
C07 | H7 | sing | 1.08Å | 1.08Å | |
O10 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O09 | C08 | O10 | 118.4° | 120.0° |
O09 | C08 | C06 | 123.4° | 120.0° |
O10 | C08 | C06 | 118.2° | 120.0° |
C08 | O10 | H8 | 109.5° | 117.0° |
C08 | C06 | C07 | 121.2° | 120.2° |
C08 | C06 | C05 | 118.0° | 120.1° |
C06 | C07 | C02 | 117.4° | 119.8° |
C07 | C06 | C05 | 120.8° | 119.7° |
C06 | C07 | H7 | 121.3° | 120.1° |
C07 | C02 | C01 | 120.7° | 119.9° |
C07 | C02 | C03 | 121.1° | 120.2° |
C02 | C07 | H7 | 121.3° | 120.1° |
C06 | C05 | C04 | 120.8° | 119.8° |
C06 | C05 | H6 | 119.6° | 120.1° |
C01 | C02 | C03 | 118.2° | 119.9° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.4° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.5° |
C02 | C03 | C04 | 122.0° | 120.3° |
C02 | C03 | H4 | 119.0° | 119.9° |
C05 | C04 | C03 | 117.8° | 120.2° |
C05 | C04 | H5 | 121.1° | 119.8° |
C04 | C05 | H6 | 119.6° | 120.1° |
C04 | C03 | H4 | 119.0° | 119.8° |
C03 | C04 | H5 | 121.1° | 120.0° |
H1 | C01 | H2 | 109.5° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O09 | C08 | O10 | C06 | 177.5° | 179.9° |
O09 | C08 | C06 | C07 | 6.7° | 0.2° |
O09 | C08 | C06 | C05 | 172.1° | 180.0° |
O09 | C08 | O10 | H8 | 0.0° | 0.0° |
O10 | C08 | C06 | C07 | 175.9° | 179.7° |
O10 | C08 | C06 | C05 | 5.2° | 0.1° |
C08 | C06 | C07 | C05 | 178.8° | 179.8° |
C08 | C06 | C07 | C02 | 178.0° | 179.7° |
C08 | C06 | C05 | C04 | 180.0° | 180.0° |
C08 | C06 | C05 | H6 | 0.0° | 0.0° |
C08 | C06 | C07 | H7 | 2.0° | 0.2° |
C06 | C08 | O10 | H8 | 177.5° | 180.0° |
C06 | C07 | C02 | H7 | 180.0° | 179.5° |
C06 | C07 | C02 | C01 | 179.0° | 179.7° |
C06 | C07 | C02 | C03 | 2.3° | 0.6° |
C07 | C06 | C05 | C04 | 1.1° | 0.2° |
C07 | C06 | C05 | H6 | 178.9° | 179.8° |
C02 | C07 | C06 | C05 | 0.9° | 0.5° |
C07 | C02 | C01 | C03 | 176.8° | 179.7° |
C07 | C02 | C03 | C04 | 1.8° | 0.3° |
C07 | C02 | C01 | H1 | 88.3° | 90.3° |
C07 | C02 | C01 | H2 | 151.7° | 29.7° |
C07 | C02 | C01 | H3 | 31.7° | 149.7° |
C07 | C02 | C03 | H4 | 178.2° | 179.7° |
C06 | C05 | C04 | H6 | 180.0° | 180.0° |
C06 | C05 | C04 | C03 | 1.7° | 0.0° |
C06 | C05 | C04 | H5 | 178.4° | 180.0° |
C05 | C06 | C07 | H7 | 179.1° | 180.0° |
C01 | C02 | C03 | C04 | 178.6° | 180.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.1° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | C03 | H4 | 1.4° | 0.0° |
C01 | C02 | C07 | H7 | 1.0° | 0.2° |
C02 | C03 | C04 | C05 | 0.2° | 0.0° |
C02 | C03 | C04 | H4 | 180.0° | 180.0° |
C03 | C02 | C01 | H1 | 88.5° | 90.0° |
C03 | C02 | C01 | H2 | 31.5° | 150.0° |
C03 | C02 | C01 | H3 | 151.5° | 30.0° |
C02 | C03 | C04 | H5 | 179.8° | 180.0° |
C03 | C02 | C07 | H7 | 177.7° | 180.0° |
C05 | C04 | C03 | H5 | 180.0° | 180.0° |
C05 | C04 | C03 | H4 | 179.8° | 180.0° |
C03 | C04 | C05 | H6 | 178.3° | 180.0° |
H1 | C01 | H2 | H3 | 120.0° | 119.9° |
H4 | C03 | C04 | H5 | 0.2° | 0.0° |
H5 | C04 | C05 | H6 | 1.7° | 0.0° |