2CM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N4 | sing | 1.40Å | 1.38Å | |
| C2 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.50Å | |
| C3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | CL8 | sing | 1.74Å | 1.66Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| C5 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C6 | HC63 | sing | 1.09Å | 1.12Å | |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C9 | HC9 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 117.6° | 119.9° |
| C2 | C1 | N4 | 119.8° | 120.1° |
| C1 | C2 | C5 | 121.0° | 119.9° |
| C1 | C2 | C6 | 116.7° | 120.0° |
| C3 | C1 | N4 | 122.6° | 120.1° |
| C1 | C3 | C7 | 122.5° | 119.9° |
| C1 | C3 | CL8 | 118.9° | 120.0° |
| C1 | N4 | HN41 | 108.5° | 120.0° |
| C1 | N4 | HN42 | 119.8° | 120.0° |
| C5 | C2 | C6 | 122.3° | 120.0° |
| C2 | C5 | C9 | 120.5° | 120.1° |
| C2 | C5 | HC5 | 119.9° | 119.9° |
| C2 | C6 | HC61 | 109.6° | 109.5° |
| C2 | C6 | HC62 | 116.7° | 109.4° |
| C2 | C6 | HC63 | 109.6° | 109.5° |
| C7 | C3 | CL8 | 118.5° | 120.0° |
| C3 | C7 | C9 | 119.3° | 120.1° |
| C3 | C7 | HC7 | 120.4° | 120.0° |
| HN41 | N4 | HN42 | 108.5° | 120.0° |
| C9 | C5 | HC5 | 119.6° | 119.9° |
| C5 | C9 | C7 | 119.1° | 120.1° |
| C5 | C9 | HC9 | 120.6° | 119.9° |
| HC61 | C6 | HC62 | 109.6° | 109.5° |
| HC61 | C6 | HC63 | 100.6° | 109.5° |
| HC62 | C6 | HC63 | 109.5° | 109.5° |
| C9 | C7 | HC7 | 120.3° | 119.9° |
| C7 | C9 | HC9 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | N4 | 179.6° | 179.5° |
| C1 | C2 | C5 | C6 | 178.9° | 179.8° |
| C2 | C1 | C3 | C7 | 0.9° | 0.5° |
| C2 | C1 | C3 | CL8 | 178.3° | 179.8° |
| C2 | C1 | N4 | HN41 | 54.7° | 179.5° |
| C2 | C1 | N4 | HN42 | 180.0° | 0.5° |
| C1 | C2 | C5 | C9 | 1.0° | 0.2° |
| C1 | C2 | C5 | HC5 | 179.0° | 179.7° |
| C1 | C2 | C6 | HC61 | 54.7° | 90.2° |
| C1 | C2 | C6 | HC62 | 180.0° | 29.8° |
| C1 | C2 | C6 | HC63 | 54.7° | 149.7° |
| C3 | C1 | C2 | C5 | 0.2° | 0.5° |
| C3 | C1 | C2 | C6 | 179.2° | 179.7° |
| C1 | C3 | C7 | CL8 | 179.3° | 179.7° |
| C3 | C1 | N4 | HN41 | 124.9° | 0.0° |
| C3 | C1 | N4 | HN42 | 0.4° | 180.0° |
| C1 | C3 | C7 | C9 | 1.3° | 0.2° |
| C1 | C3 | C7 | HC7 | 178.7° | 179.7° |
| N4 | C1 | C2 | C5 | 179.4° | 180.0° |
| N4 | C1 | C2 | C6 | 0.5° | 0.2° |
| N4 | C1 | C3 | C7 | 179.4° | 180.0° |
| N4 | C1 | C3 | CL8 | 1.3° | 0.3° |
| C1 | N4 | HN41 | HN42 | 131.7° | 180.0° |
| C2 | C5 | C9 | HC5 | 180.0° | 179.9° |
| C5 | C2 | C6 | HC61 | 126.3° | 90.0° |
| C5 | C2 | C6 | HC62 | 1.0° | 150.0° |
| C5 | C2 | C6 | HC63 | 124.2° | 30.1° |
| C2 | C5 | C9 | C7 | 0.7° | 0.0° |
| C2 | C5 | C9 | HC9 | 179.3° | 180.0° |
| C6 | C2 | C5 | C9 | 179.9° | 180.0° |
| C6 | C2 | C5 | HC5 | 0.1° | 0.1° |
| C2 | C6 | HC61 | HC62 | 129.3° | 120.0° |
| C2 | C6 | HC61 | HC63 | 115.4° | 120.0° |
| C2 | C6 | HC62 | HC63 | 125.3° | 120.0° |
| C3 | C7 | C9 | C5 | 0.5° | 0.0° |
| C3 | C7 | C9 | HC7 | 180.0° | 179.9° |
| C3 | C7 | C9 | HC9 | 179.5° | 180.0° |
| CL8 | C3 | C7 | C9 | 177.9° | 180.0° |
| CL8 | C3 | C7 | HC7 | 2.1° | 0.0° |
| C5 | C9 | C7 | HC9 | 180.0° | 180.0° |
| C5 | C9 | C7 | HC7 | 179.5° | 180.0° |
| HC5 | C5 | C9 | C7 | 179.3° | 180.0° |
| HC5 | C5 | C9 | HC9 | 0.6° | 0.0° |
| HC61 | C6 | HC62 | HC63 | 109.5° | 120.0° |
| HC7 | C7 | C9 | HC9 | 0.5° | 0.0° |
