2C9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAH | sing | 1.39Å | 1.41Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| NAB | CAH | sing | 1.40Å | 1.35Å | |
| CAH | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | NAC | sing | 1.40Å | 1.36Å | |
| CAG | CAA | sing | 1.51Å | 1.41Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| NAB | H7 | sing | 0.97Å | 1.00Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAC | H9 | sing | 0.97Å | 1.00Å | |
| NAC | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAF | CAH | 117.3° | 120.0° |
| CAF | CAD | CAE | 120.8° | 120.2° |
| CAF | CAD | H5 | 119.6° | 119.9° |
| CAD | CAF | H6 | 121.3° | 120.0° |
| CAF | CAH | NAB | 121.4° | 120.1° |
| CAF | CAH | CAI | 121.4° | 119.8° |
| CAH | CAF | H6 | 121.3° | 120.0° |
| CAD | CAE | CAG | 121.3° | 120.2° |
| CAD | CAE | H4 | 119.3° | 119.9° |
| CAE | CAD | H5 | 119.6° | 119.9° |
| NAB | CAH | CAI | 117.2° | 120.1° |
| CAH | NAB | H7 | 109.5° | 120.0° |
| CAH | NAB | H8 | 109.4° | 120.0° |
| CAH | CAI | CAG | 121.4° | 119.8° |
| CAH | CAI | NAC | 119.6° | 120.1° |
| CAE | CAG | CAI | 117.8° | 120.0° |
| CAE | CAG | CAA | 121.5° | 120.0° |
| CAG | CAE | H4 | 119.3° | 119.9° |
| CAG | CAI | NAC | 119.0° | 120.1° |
| CAI | CAG | CAA | 120.7° | 120.0° |
| CAI | NAC | H9 | 109.5° | 120.0° |
| CAI | NAC | H10 | 109.5° | 120.0° |
| CAG | CAA | H1 | 109.5° | 109.5° |
| CAG | CAA | H2 | 109.5° | 109.5° |
| CAG | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H7 | NAB | H8 | 109.5° | 120.0° |
| H9 | NAC | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAF | CAH | H6 | 180.0° | 180.0° |
| CAF | CAD | CAE | H5 | 180.0° | 180.0° |
| CAD | CAF | CAH | NAB | 179.2° | 180.0° |
| CAD | CAF | CAH | CAI | 0.7° | 0.2° |
| CAF | CAD | CAE | CAG | 0.2° | 0.0° |
| CAF | CAD | CAE | H4 | 179.8° | 180.0° |
| CAH | CAF | CAD | CAE | 0.5° | 0.0° |
| CAF | CAH | NAB | CAI | 179.9° | 179.8° |
| CAF | CAH | CAI | CAG | 0.7° | 0.4° |
| CAF | CAH | CAI | NAC | 179.3° | 180.0° |
| CAH | CAF | CAD | H5 | 179.5° | 180.0° |
| CAF | CAH | NAB | H7 | 180.0° | 0.1° |
| CAF | CAH | NAB | H8 | 60.0° | 180.0° |
| CAD | CAE | CAG | H4 | 180.0° | 179.9° |
| CAD | CAE | CAG | CAI | 0.1° | 0.3° |
| CAD | CAE | CAG | CAA | 179.4° | 179.9° |
| CAE | CAD | CAF | H6 | 179.5° | 180.0° |
| NAB | CAH | CAI | CAG | 179.3° | 179.8° |
| NAB | CAH | CAI | NAC | 0.6° | 0.2° |
| NAB | CAH | CAF | H6 | 0.8° | 0.0° |
| CAH | NAB | H7 | H8 | 120.0° | 180.0° |
| CAH | CAI | CAG | CAE | 0.4° | 0.5° |
| CAH | CAI | CAG | NAC | 178.7° | 179.6° |
| CAH | CAI | CAG | CAA | 179.2° | 179.7° |
| CAI | CAH | CAF | H6 | 179.3° | 179.8° |
| CAI | CAH | NAB | H7 | 0.0° | 179.7° |
| CAI | CAH | NAB | H8 | 119.9° | 0.2° |
| CAH | CAI | NAC | H9 | 180.0° | 0.0° |
| CAH | CAI | NAC | H10 | 60.0° | 179.9° |
| CAE | CAG | CAI | CAA | 179.6° | 179.8° |
| CAE | CAG | CAI | NAC | 179.0° | 180.0° |
| CAE | CAG | CAA | H1 | 89.8° | 90.0° |
| CAE | CAG | CAA | H2 | 150.2° | 150.0° |
| CAE | CAG | CAA | H3 | 30.2° | 30.0° |
| CAG | CAE | CAD | H5 | 179.8° | 180.0° |
| CAI | CAG | CAA | H1 | 89.8° | 90.2° |
| CAI | CAG | CAA | H2 | 30.2° | 29.8° |
| CAI | CAG | CAA | H3 | 150.2° | 149.8° |
| CAI | CAG | CAE | H4 | 179.8° | 179.8° |
| CAG | CAI | NAC | H9 | 1.3° | 179.5° |
| CAG | CAI | NAC | H10 | 118.7° | 0.5° |
| NAC | CAI | CAG | CAA | 0.5° | 0.2° |
| CAI | NAC | H9 | H10 | 120.0° | 180.0° |
| CAG | CAA | H1 | H2 | 120.0° | 120.1° |
| CAG | CAA | H1 | H3 | 120.0° | 120.0° |
| CAG | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAG | CAE | H4 | 0.6° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAE | CAD | H5 | 0.2° | 0.1° |
| H5 | CAD | CAF | H6 | 0.5° | 0.0° |
