6X7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O05 | C04 | doub | 1.22Å | 1.26Å | |
C01 | C02 | sing | 1.51Å | 1.53Å | |
C04 | C03 | sing | 1.47Å | 1.54Å | |
C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
C02 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
C10 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
C07 | O12 | sing | 1.36Å | 1.41Å | |
C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
C09 | O11 | sing | 1.36Å | 1.40Å | |
C04 | O1 | sing | 1.35Å | 1.43Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
O12 | H2 | sing | 0.97Å | 0.95Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
O11 | H7 | sing | 0.97Å | 0.95Å | |
O1 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O05 | C04 | C03 | 126.6° | 120.0° |
O05 | C04 | O1 | 117.5° | 120.0° |
C01 | C02 | C03 | 122.7° | 120.0° |
C01 | C02 | C10 | 117.1° | 120.0° |
C02 | C01 | H3 | 109.5° | 109.5° |
C02 | C01 | H4 | 109.5° | 109.5° |
C02 | C01 | H5 | 109.4° | 109.4° |
C04 | C03 | C02 | 123.2° | 120.2° |
C04 | C03 | C07 | 118.0° | 120.1° |
C03 | C04 | O1 | 115.9° | 120.0° |
C03 | C02 | C10 | 120.1° | 120.0° |
C02 | C03 | C07 | 118.8° | 119.7° |
C02 | C10 | C09 | 120.2° | 120.2° |
C02 | C10 | H1 | 119.9° | 119.9° |
C03 | C07 | O12 | 121.3° | 120.1° |
C03 | C07 | C08 | 120.7° | 119.8° |
C10 | C09 | C08 | 120.4° | 120.3° |
C10 | C09 | O11 | 120.0° | 119.9° |
C09 | C10 | H1 | 119.9° | 119.9° |
O12 | C07 | C08 | 117.9° | 120.1° |
C07 | O12 | H2 | 109.5° | 114.0° |
C07 | C08 | C09 | 119.8° | 120.0° |
C07 | C08 | H6 | 120.1° | 120.0° |
C08 | C09 | O11 | 119.6° | 119.8° |
C09 | C08 | H6 | 120.1° | 120.0° |
C09 | O11 | H7 | 109.5° | 114.0° |
C04 | O1 | H8 | 109.5° | 117.0° |
H3 | C01 | H4 | 109.4° | 109.5° |
H3 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O05 | C04 | C03 | O1 | 179.1° | 180.0° |
O05 | C04 | C03 | C02 | 0.1° | 90.0° |
O05 | C04 | C03 | C07 | 179.9° | 89.9° |
O05 | C04 | O1 | H8 | 0.0° | 0.0° |
C01 | C02 | C03 | C04 | 0.0° | 0.0° |
C01 | C02 | C03 | C10 | 180.0° | 179.9° |
C01 | C02 | C03 | C07 | 179.9° | 179.9° |
C01 | C02 | C10 | C09 | 179.9° | 180.0° |
C01 | C02 | C10 | H1 | 0.1° | 0.1° |
C02 | C01 | H3 | H4 | 120.0° | 120.0° |
C02 | C01 | H3 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H5 | 120.0° | 120.0° |
C04 | C03 | C02 | C07 | 179.9° | 179.9° |
C04 | C03 | C02 | C10 | 180.0° | 179.9° |
C04 | C03 | C07 | O12 | 0.1° | 0.1° |
C04 | C03 | C07 | C08 | 179.9° | 180.0° |
C03 | C04 | O1 | H8 | 179.2° | 180.0° |
C03 | C02 | C10 | C09 | 0.1° | 0.1° |
C02 | C03 | C07 | O12 | 179.8° | 180.0° |
C02 | C03 | C07 | C08 | 0.1° | 0.0° |
C02 | C03 | C04 | O1 | 179.0° | 90.0° |
C03 | C02 | C10 | H1 | 179.9° | 179.7° |
C03 | C02 | C01 | H3 | 90.0° | 90.0° |
C03 | C02 | C01 | H4 | 150.0° | 150.0° |
C03 | C02 | C01 | H5 | 30.0° | 30.0° |
C10 | C02 | C03 | C07 | 0.1° | 0.0° |
C02 | C10 | C09 | H1 | 180.0° | 179.8° |
C02 | C10 | C09 | C08 | 0.0° | 0.1° |
C02 | C10 | C09 | O11 | 179.9° | 179.8° |
C10 | C02 | C01 | H3 | 90.0° | 90.1° |
C10 | C02 | C01 | H4 | 30.0° | 29.9° |
C10 | C02 | C01 | H5 | 150.0° | 149.9° |
C03 | C07 | O12 | C08 | 179.8° | 179.9° |
C03 | C07 | C08 | C09 | 0.0° | 0.0° |
C07 | C03 | C04 | O1 | 0.8° | 90.1° |
C03 | C07 | O12 | H2 | 180.0° | 90.1° |
C03 | C07 | C08 | H6 | 180.0° | 179.9° |
C10 | C09 | C08 | C07 | 0.0° | 0.0° |
C10 | C09 | C08 | O11 | 179.9° | 179.7° |
C10 | C09 | C08 | H6 | 180.0° | 180.0° |
C10 | C09 | O11 | H7 | 180.0° | 90.0° |
O12 | C07 | C08 | C09 | 179.9° | 179.9° |
O12 | C07 | C08 | H6 | 0.2° | 0.0° |
C07 | C08 | C09 | H6 | 180.0° | 179.9° |
C07 | C08 | C09 | O11 | 180.0° | 179.7° |
C08 | C07 | O12 | H2 | 0.2° | 90.0° |
C08 | C09 | C10 | H1 | 180.0° | 179.7° |
C08 | C09 | O11 | H7 | 0.1° | 90.3° |
O11 | C09 | C10 | H1 | 0.1° | 0.1° |
O11 | C09 | C08 | H6 | 0.0° | 0.4° |
H3 | C01 | H4 | H5 | 120.0° | 120.0° |