TCZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
C1 | CL1 | sing | 1.74Å | 1.68Å | |
C2 | C3 | sing | 1.38Å | 1.44Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
C3 | CL3 | sing | 1.74Å | 1.71Å | |
C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | CL5 | sing | 1.74Å | 1.70Å | |
C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 121.3° | 120.0° |
C2 | C1 | CL1 | 120.7° | 120.0° |
C1 | C2 | C3 | 118.1° | 120.0° |
C1 | C2 | H2 | 120.7° | 120.0° |
C6 | C1 | CL1 | 118.0° | 120.1° |
C1 | C6 | C5 | 119.5° | 120.1° |
C1 | C6 | H6 | 121.1° | 119.9° |
C3 | C2 | H2 | 121.1° | 120.0° |
C2 | C3 | C4 | 120.8° | 120.1° |
C2 | C3 | CL3 | 119.6° | 120.0° |
C4 | C3 | CL3 | 119.6° | 119.9° |
C3 | C4 | C5 | 119.1° | 120.0° |
C3 | C4 | H4 | 120.2° | 120.1° |
C5 | C4 | H4 | 120.7° | 120.0° |
C4 | C5 | C6 | 121.1° | 120.0° |
C4 | C5 | CL5 | 120.8° | 120.0° |
C6 | C5 | CL5 | 118.1° | 120.0° |
C5 | C6 | H6 | 119.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | CL1 | 179.7° | 179.8° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.1° | 0.0° |
C1 | C2 | C3 | CL3 | 179.8° | 180.0° |
C2 | C1 | C6 | C5 | 0.1° | 0.4° |
C2 | C1 | C6 | H6 | 179.9° | 180.0° |
C6 | C1 | C2 | C3 | 0.2° | 0.2° |
C6 | C1 | C2 | H2 | 179.8° | 179.8° |
C1 | C6 | C5 | C4 | 0.2° | 0.4° |
C1 | C6 | C5 | H6 | 180.0° | 179.6° |
C1 | C6 | C5 | CL5 | 180.0° | 179.8° |
CL1 | C1 | C2 | C3 | 179.5° | 180.0° |
CL1 | C1 | C2 | H2 | 0.6° | 0.0° |
CL1 | C1 | C6 | C5 | 179.6° | 179.8° |
CL1 | C1 | C6 | H6 | 0.4° | 0.2° |
C2 | C3 | C4 | CL3 | 179.9° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.0° |
C2 | C3 | C4 | H4 | 179.9° | 180.0° |
H2 | C2 | C3 | C4 | 179.9° | 180.0° |
H2 | C2 | C3 | CL3 | 0.3° | 0.0° |
C3 | C4 | C5 | H4 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.2° |
C3 | C4 | C5 | CL5 | 179.9° | 180.0° |
CL3 | C3 | C4 | C5 | 180.0° | 180.0° |
CL3 | C3 | C4 | H4 | 0.0° | 0.0° |
C4 | C5 | C6 | CL5 | 179.9° | 179.8° |
C4 | C5 | C6 | H6 | 179.9° | 180.0° |
H4 | C4 | C5 | C6 | 179.8° | 179.8° |
H4 | C4 | C5 | CL5 | 0.1° | 0.0° |
CL5 | C5 | C6 | H6 | 0.0° | 0.2° |