TB8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | CL1 | sing | 1.74Å | 1.80Å | |
C10 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.47Å | 1.48Å | |
C03 | C04 | doub | 1.35Å | 1.33Å | |
C03 | C02 | sing | 1.46Å | 1.48Å | |
O13 | N12 | sing | 1.42Å | 1.39Å | |
N12 | C02 | sing | 1.35Å | 1.33Å | |
C02 | O01 | doub | 1.22Å | 1.22Å | |
C09 | H1 | sing | 1.08Å | 1.08Å | |
C08 | H2 | sing | 1.08Å | 1.08Å | |
C07 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C04 | H5 | sing | 1.08Å | 1.08Å | |
C03 | H6 | sing | 1.08Å | 1.08Å | |
N12 | H7 | sing | 0.97Å | 1.00Å | |
O13 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C09 | C08 | C07 | 120.2° | 120.4° |
C08 | C09 | C10 | 120.0° | 120.2° |
C08 | C09 | H1 | 120.0° | 119.9° |
C09 | C08 | H2 | 119.9° | 119.8° |
C08 | C07 | C06 | 119.8° | 120.2° |
C07 | C08 | H2 | 119.9° | 119.8° |
C08 | C07 | H3 | 120.1° | 119.9° |
C09 | C10 | CL1 | 120.2° | 120.1° |
C09 | C10 | C05 | 119.8° | 119.8° |
C10 | C09 | H1 | 120.0° | 119.9° |
C07 | C06 | C05 | 120.1° | 119.8° |
C06 | C07 | H3 | 120.1° | 119.9° |
C07 | C06 | H4 | 119.9° | 120.1° |
CL1 | C10 | C05 | 120.0° | 120.1° |
C10 | C05 | C06 | 120.1° | 119.6° |
C10 | C05 | C04 | 119.9° | 120.2° |
C06 | C05 | C04 | 120.0° | 120.2° |
C05 | C06 | H4 | 120.0° | 120.1° |
C05 | C04 | C03 | 119.0° | 120.0° |
C05 | C04 | H5 | 120.5° | 120.0° |
C04 | C03 | C02 | 121.7° | 120.0° |
C03 | C04 | H5 | 120.5° | 120.0° |
C04 | C03 | H6 | 119.2° | 120.0° |
C03 | C02 | N12 | 118.5° | 120.0° |
C03 | C02 | O01 | 120.4° | 120.0° |
C02 | C03 | H6 | 119.2° | 120.0° |
O13 | N12 | C02 | 120.0° | 120.0° |
O13 | N12 | H7 | 120.0° | 119.9° |
N12 | O13 | H8 | 109.5° | 114.1° |
N12 | C02 | O01 | 121.1° | 120.0° |
C02 | N12 | H7 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C09 | C08 | C07 | H2 | 180.0° | 179.9° |
C08 | C09 | C10 | H1 | 180.0° | 179.9° |
C09 | C08 | C07 | C06 | 0.1° | 0.0° |
C08 | C09 | C10 | CL1 | 179.9° | 180.0° |
C08 | C09 | C10 | C05 | 0.2° | 0.2° |
C09 | C08 | C07 | H3 | 179.9° | 180.0° |
C07 | C08 | C09 | C10 | 0.2° | 0.0° |
C08 | C07 | C06 | H3 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 0.1° | 0.2° |
C07 | C08 | C09 | H1 | 179.8° | 179.9° |
C08 | C07 | C06 | H4 | 179.9° | 180.0° |
C09 | C10 | CL1 | C05 | 179.9° | 179.8° |
C09 | C10 | C05 | C06 | 0.0° | 0.5° |
C09 | C10 | C05 | C04 | 179.8° | 179.7° |
C10 | C09 | C08 | H2 | 179.8° | 179.9° |
C07 | C06 | C05 | C10 | 0.1° | 0.5° |
C07 | C06 | C05 | H4 | 180.0° | 179.8° |
C07 | C06 | C05 | C04 | 179.7° | 179.7° |
C06 | C07 | C08 | H2 | 179.9° | 179.9° |
CL1 | C10 | C05 | C06 | 179.9° | 179.8° |
CL1 | C10 | C05 | C04 | 0.2° | 0.0° |
CL1 | C10 | C09 | H1 | 0.1° | 0.1° |
C10 | C05 | C06 | C04 | 179.8° | 179.8° |
C10 | C05 | C04 | C03 | 124.3° | 180.0° |
C05 | C10 | C09 | H1 | 179.8° | 179.8° |
C10 | C05 | C06 | H4 | 179.9° | 179.8° |
C10 | C05 | C04 | H5 | 55.7° | 0.0° |
C06 | C05 | C04 | C03 | 55.5° | 0.2° |
C05 | C06 | C07 | H3 | 179.9° | 179.8° |
C06 | C05 | C04 | H5 | 124.5° | 179.8° |
C05 | C04 | C03 | H5 | 180.0° | 180.0° |
C05 | C04 | C03 | C02 | 179.8° | 180.0° |
C04 | C05 | C06 | H4 | 0.3° | 0.1° |
C05 | C04 | C03 | H6 | 0.2° | 0.0° |
C04 | C03 | C02 | H6 | 180.0° | 180.0° |
C04 | C03 | C02 | N12 | 174.3° | 180.0° |
C04 | C03 | C02 | O01 | 5.4° | 0.0° |
C03 | C02 | N12 | O13 | 137.1° | 180.0° |
C03 | C02 | N12 | O01 | 179.7° | 180.0° |
C02 | C03 | C04 | H5 | 0.2° | 0.0° |
C03 | C02 | N12 | H7 | 42.9° | 0.0° |
O13 | N12 | C02 | H7 | 180.0° | 180.0° |
O13 | N12 | C02 | O01 | 43.2° | 0.0° |
N12 | C02 | C03 | H6 | 5.7° | 0.0° |
C02 | N12 | O13 | H8 | 19.0° | 179.9° |
O01 | C02 | C03 | H6 | 174.6° | 180.0° |
O01 | C02 | N12 | H7 | 136.8° | 180.0° |
H1 | C09 | C08 | H2 | 0.2° | 0.1° |
H2 | C08 | C07 | H3 | 0.1° | 0.1° |
H3 | C07 | C06 | H4 | 0.1° | 0.0° |
H5 | C04 | C03 | H6 | 179.8° | 180.0° |
H7 | N12 | O13 | H8 | 161.0° | 0.1° |