15O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL1 | C10 | sing | 1.74Å | 1.73Å | |
C10 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
C10 | C04 | sing | 1.41Å | 1.43Å | Aromatic |
C03 | C04 | doub | 1.40Å | 1.43Å | Aromatic |
C03 | C02 | sing | 1.36Å | 1.39Å | Aromatic |
C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.42Å | 1.37Å | Aromatic |
C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
C08 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
C05 | C07 | sing | 1.41Å | 1.43Å | Aromatic |
C05 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
C01 | C06 | sing | 1.36Å | 1.39Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.08Å | 1.08Å | |
C03 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C07 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H7 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL1 | C10 | C09 | 117.8° | 120.1° |
CL1 | C10 | C04 | 122.0° | 120.2° |
C09 | C10 | C04 | 120.2° | 119.7° |
C10 | C09 | C08 | 120.3° | 121.0° |
C10 | C09 | H7 | 119.9° | 119.6° |
C10 | C04 | C03 | 121.3° | 121.3° |
C10 | C04 | C05 | 119.3° | 119.3° |
C04 | C03 | C02 | 120.2° | 119.7° |
C03 | C04 | C05 | 119.4° | 119.4° |
C04 | C03 | H3 | 119.9° | 120.2° |
C03 | C02 | C01 | 119.9° | 121.0° |
C03 | C02 | H2 | 120.0° | 119.5° |
C02 | C03 | H3 | 119.9° | 120.2° |
C09 | C08 | C07 | 119.8° | 121.0° |
C09 | C08 | H6 | 120.1° | 119.5° |
C08 | C09 | H7 | 119.9° | 119.5° |
C04 | C05 | C07 | 120.2° | 119.3° |
C04 | C05 | C06 | 120.4° | 119.4° |
C02 | C01 | C06 | 120.4° | 121.0° |
C02 | C01 | H1 | 119.8° | 119.5° |
C01 | C02 | H2 | 120.0° | 119.5° |
C08 | C07 | C05 | 120.2° | 119.7° |
C08 | C07 | H5 | 119.9° | 120.1° |
C07 | C08 | H6 | 120.1° | 119.5° |
C07 | C05 | C06 | 119.3° | 121.3° |
C05 | C07 | H5 | 119.9° | 120.1° |
C05 | C06 | C01 | 119.7° | 119.6° |
C05 | C06 | H4 | 120.1° | 120.2° |
C06 | C01 | H1 | 119.8° | 119.5° |
C01 | C06 | H4 | 120.1° | 120.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL1 | C10 | C09 | C04 | 180.0° | 180.0° |
CL1 | C10 | C04 | C03 | 0.1° | 0.0° |
CL1 | C10 | C09 | C08 | 179.8° | 180.0° |
CL1 | C10 | C04 | C05 | 180.0° | 180.0° |
CL1 | C10 | C09 | H7 | 0.2° | 0.0° |
C09 | C10 | C04 | C03 | 179.9° | 180.0° |
C10 | C09 | C08 | H7 | 180.0° | 180.0° |
C09 | C10 | C04 | C05 | 0.1° | 0.0° |
C10 | C09 | C08 | C07 | 0.1° | 0.1° |
C10 | C09 | C08 | H6 | 179.8° | 180.0° |
C10 | C04 | C03 | C05 | 179.9° | 180.0° |
C10 | C04 | C03 | C02 | 179.8° | 180.0° |
C04 | C10 | C09 | C08 | 0.2° | 0.0° |
C10 | C04 | C05 | C07 | 0.2° | 0.1° |
C10 | C04 | C05 | C06 | 180.0° | 180.0° |
C10 | C04 | C03 | H3 | 0.1° | 0.1° |
C04 | C10 | C09 | H7 | 179.8° | 180.0° |
C04 | C03 | C02 | H3 | 180.0° | 179.9° |
C04 | C03 | C02 | C01 | 0.1° | 0.0° |
C03 | C04 | C05 | C07 | 179.9° | 180.0° |
C03 | C04 | C05 | C06 | 0.0° | 0.1° |
C04 | C03 | C02 | H2 | 180.0° | 179.9° |
C02 | C03 | C04 | C05 | 0.1° | 0.0° |
C03 | C02 | C01 | H2 | 180.0° | 179.9° |
C03 | C02 | C01 | C06 | 0.1° | 0.1° |
C03 | C02 | C01 | H1 | 179.9° | 179.7° |
C09 | C08 | C07 | H6 | 180.0° | 179.9° |
C09 | C08 | C07 | C05 | 0.1° | 0.1° |
C09 | C08 | C07 | H5 | 179.9° | 179.9° |
C04 | C05 | C07 | C08 | 0.3° | 0.0° |
C04 | C05 | C07 | C06 | 179.8° | 179.9° |
C04 | C05 | C06 | C01 | 0.2° | 0.0° |
C05 | C04 | C03 | H3 | 179.9° | 180.0° |
C04 | C05 | C06 | H4 | 179.8° | 179.8° |
C04 | C05 | C07 | H5 | 179.7° | 180.0° |
C02 | C01 | C06 | C05 | 0.2° | 0.1° |
C02 | C01 | C06 | H1 | 180.0° | 179.6° |
C01 | C02 | C03 | H3 | 180.0° | 179.9° |
C02 | C01 | C06 | H4 | 179.8° | 179.7° |
C08 | C07 | C05 | H5 | 180.0° | 179.9° |
C08 | C07 | C05 | C06 | 179.9° | 179.9° |
C07 | C08 | C09 | H7 | 179.9° | 179.9° |
C07 | C05 | C06 | C01 | 180.0° | 179.9° |
C07 | C05 | C06 | H4 | 0.0° | 0.3° |
C05 | C07 | C08 | H6 | 179.9° | 180.0° |
C05 | C06 | C01 | H4 | 180.0° | 179.8° |
C05 | C06 | C01 | H1 | 179.8° | 179.6° |
C06 | C05 | C07 | H5 | 0.1° | 0.2° |
C06 | C01 | C02 | H2 | 179.9° | 180.0° |
H1 | C01 | C02 | H2 | 0.1° | 0.4° |
H1 | C01 | C06 | H4 | 0.2° | 0.1° |
H2 | C02 | C03 | H3 | 0.0° | 0.0° |
H5 | C07 | C08 | H6 | 0.1° | 0.0° |
H6 | C08 | C09 | H7 | 0.1° | 0.0° |