M6N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAJ | doub | 1.22Å | 1.39Å | |
NAH | CAJ | sing | 1.35Å | 1.31Å | |
NAH | CAI | sing | 1.36Å | 1.33Å | |
CAJ | CAL | sing | 1.47Å | 1.43Å | |
CAA | CAI | sing | 1.51Å | 1.52Å | |
CAI | NAG | doub | 1.30Å | 1.33Å | |
CAL | CAD | doub | 1.39Å | 1.44Å | Aromatic |
CAL | CAK | sing | 1.41Å | 1.37Å | Aromatic |
CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
NAG | CAK | sing | 1.35Å | 1.36Å | |
CAK | CAE | doub | 1.40Å | 1.42Å | Aromatic |
CAC | NAF | doub | 1.32Å | 1.33Å | Aromatic |
CAE | NAF | sing | 1.32Å | 1.33Å | Aromatic |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
CAD | H5 | sing | 1.08Å | 1.08Å | |
CAE | H6 | sing | 1.08Å | 1.08Å | |
NAH | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAB | CAJ | NAH | 120.7° | 121.4° |
OAB | CAJ | CAL | 121.0° | 121.5° |
CAJ | NAH | CAI | 121.1° | 120.6° |
NAH | CAJ | CAL | 118.4° | 117.2° |
CAJ | NAH | H7 | 119.5° | 119.7° |
NAH | CAI | CAA | 117.6° | 118.2° |
NAH | CAI | NAG | 123.3° | 123.6° |
CAI | NAH | H7 | 119.5° | 119.7° |
CAJ | CAL | CAD | 121.9° | 122.9° |
CAJ | CAL | CAK | 118.9° | 118.2° |
CAA | CAI | NAG | 119.1° | 118.2° |
CAI | CAA | H1 | 109.5° | 109.5° |
CAI | CAA | H2 | 109.4° | 109.5° |
CAI | CAA | H3 | 109.5° | 109.5° |
CAI | NAG | CAK | 118.9° | 121.5° |
CAD | CAL | CAK | 119.2° | 118.9° |
CAL | CAD | CAC | 118.9° | 118.4° |
CAL | CAD | H5 | 120.5° | 120.8° |
CAL | CAK | NAG | 119.4° | 119.0° |
CAL | CAK | CAE | 118.1° | 118.6° |
CAD | CAC | NAF | 119.9° | 121.3° |
CAD | CAC | H4 | 120.1° | 119.4° |
CAC | CAD | H5 | 120.6° | 120.8° |
NAG | CAK | CAE | 122.5° | 122.4° |
CAK | CAE | NAF | 121.4° | 120.0° |
CAK | CAE | H6 | 119.3° | 120.0° |
CAC | NAF | CAE | 122.5° | 122.8° |
NAF | CAC | H4 | 120.0° | 119.3° |
NAF | CAE | H6 | 119.3° | 120.0° |
H1 | CAA | H2 | 109.5° | 109.4° |
H1 | CAA | H3 | 109.5° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAJ | NAH | CAL | 179.4° | 180.0° |
OAB | CAJ | NAH | CAI | 179.9° | 180.0° |
OAB | CAJ | CAL | CAD | 0.2° | 0.0° |
OAB | CAJ | CAL | CAK | 179.7° | 180.0° |
OAB | CAJ | NAH | H7 | 0.1° | 0.0° |
CAJ | NAH | CAI | H7 | 180.0° | 180.0° |
CAJ | NAH | CAI | CAA | 179.8° | 179.8° |
CAJ | NAH | CAI | NAG | 0.2° | 0.3° |
NAH | CAJ | CAL | CAD | 179.6° | 180.0° |
NAH | CAJ | CAL | CAK | 0.3° | 0.0° |
CAI | NAH | CAJ | CAL | 0.4° | 0.0° |
NAH | CAI | CAA | NAG | 180.0° | 179.5° |
NAH | CAI | NAG | CAK | 0.2° | 0.6° |
NAH | CAI | CAA | H1 | 180.0° | 179.5° |
NAH | CAI | CAA | H2 | 60.0° | 59.5° |
NAH | CAI | CAA | H3 | 60.0° | 60.5° |
CAJ | CAL | CAD | CAK | 179.9° | 180.0° |
CAJ | CAL | CAD | CAC | 179.9° | 179.9° |
CAJ | CAL | CAK | NAG | 0.1° | 0.2° |
CAJ | CAL | CAK | CAE | 180.0° | 179.7° |
CAJ | CAL | CAD | H5 | 0.1° | 0.0° |
CAL | CAJ | NAH | H7 | 179.6° | 180.0° |
CAA | CAI | NAG | CAK | 179.8° | 180.0° |
CAI | CAA | H1 | H2 | 120.0° | 120.0° |
CAI | CAA | H1 | H3 | 120.0° | 120.0° |
CAI | CAA | H2 | H3 | 120.0° | 120.0° |
CAA | CAI | NAH | H7 | 0.2° | 0.3° |
CAI | NAG | CAK | CAL | 0.3° | 0.5° |
CAI | NAG | CAK | CAE | 179.8° | 180.0° |
NAG | CAI | CAA | H1 | 0.0° | 0.0° |
NAG | CAI | CAA | H2 | 120.0° | 120.0° |
NAG | CAI | CAA | H3 | 120.0° | 120.0° |
NAG | CAI | NAH | H7 | 179.8° | 179.7° |
CAL | CAD | CAC | H5 | 180.0° | 179.9° |
CAD | CAL | CAK | NAG | 180.0° | 179.8° |
CAD | CAL | CAK | CAE | 0.1° | 0.2° |
CAL | CAD | CAC | NAF | 0.1° | 0.0° |
CAL | CAD | CAC | H4 | 179.9° | 179.7° |
CAK | CAL | CAD | CAC | 0.0° | 0.0° |
CAL | CAK | NAG | CAE | 179.9° | 179.5° |
CAL | CAK | CAE | NAF | 0.1° | 0.5° |
CAK | CAL | CAD | H5 | 179.9° | 179.9° |
CAL | CAK | CAE | H6 | 179.9° | 180.0° |
CAD | CAC | NAF | H4 | 180.0° | 179.7° |
CAD | CAC | NAF | CAE | 0.0° | 0.3° |
NAG | CAK | CAE | NAF | 180.0° | 180.0° |
NAG | CAK | CAE | H6 | 0.0° | 0.5° |
CAK | CAE | NAF | CAC | 0.1° | 0.5° |
CAK | CAE | NAF | H6 | 180.0° | 179.5° |
NAF | CAC | CAD | H5 | 179.9° | 179.9° |
CAC | NAF | CAE | H6 | 179.9° | 180.0° |
CAE | NAF | CAC | H4 | 179.9° | 180.0° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H4 | CAC | CAD | H5 | 0.1° | 0.4° |