TCV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL1 | C2 | sing | 1.74Å | 1.69Å | |
C2 | C3 | doub | 1.31Å | 1.33Å | |
C3 | CL4 | sing | 1.74Å | 1.69Å | |
C3 | CL5 | sing | 1.74Å | 1.65Å | |
C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL1 | C2 | C3 | 119.8° | 120.0° |
CL1 | C2 | H2 | 120.1° | 120.1° |
C2 | C3 | CL4 | 120.4° | 120.0° |
C2 | C3 | CL5 | 123.4° | 120.0° |
C3 | C2 | H2 | 120.1° | 119.9° |
CL4 | C3 | CL5 | 116.1° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL1 | C2 | C3 | H2 | 180.0° | 179.8° |
CL1 | C2 | C3 | CL4 | 179.9° | 0.0° |
CL1 | C2 | C3 | CL5 | 0.0° | 180.0° |
C2 | C3 | CL4 | CL5 | 179.9° | 180.0° |
CL4 | C3 | C2 | H2 | 0.1° | 179.8° |
CL5 | C3 | C2 | H2 | 180.0° | 0.2° |