P6Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C07 | N08 | sing | 1.34Å | 1.32Å | Aromatic |
C07 | C06 | doub | 1.35Å | 1.36Å | Aromatic |
N08 | C09 | doub | 1.31Å | 1.34Å | Aromatic |
C06 | N05 | sing | 1.37Å | 1.31Å | Aromatic |
C09 | N05 | sing | 1.36Å | 1.34Å | Aromatic |
N05 | C04 | sing | 1.40Å | 1.45Å | |
C10 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
C12 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
C02 | C01 | sing | 1.47Å | 1.53Å | |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H7 | sing | 1.08Å | 1.08Å | |
C10 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å | |
C01 | O1 | doub | 1.21Å | 1.43Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N08 | C07 | C06 | 107.8° | 108.2° |
C07 | N08 | C09 | 107.9° | 109.4° |
N08 | C07 | H6 | 126.1° | 125.9° |
C07 | C06 | N05 | 107.9° | 106.8° |
C07 | C06 | H5 | 126.0° | 126.6° |
C06 | C07 | H6 | 126.1° | 125.9° |
N08 | C09 | N05 | 107.9° | 108.6° |
N08 | C09 | H7 | 126.0° | 125.8° |
C06 | N05 | C09 | 108.5° | 107.0° |
C06 | N05 | C04 | 126.0° | 126.5° |
N05 | C06 | H5 | 126.1° | 126.5° |
C09 | N05 | C04 | 125.5° | 126.5° |
N05 | C09 | H7 | 126.0° | 125.7° |
N05 | C04 | C10 | 120.2° | 120.0° |
N05 | C04 | C03 | 119.9° | 120.0° |
C04 | C10 | C11 | 119.9° | 120.3° |
C10 | C04 | C03 | 119.8° | 120.0° |
C04 | C10 | H8 | 120.1° | 119.8° |
C10 | C11 | C12 | 120.2° | 120.2° |
C11 | C10 | H8 | 120.0° | 119.8° |
C10 | C11 | H9 | 119.9° | 119.9° |
C04 | C03 | C02 | 120.2° | 119.8° |
C04 | C03 | H4 | 119.9° | 120.1° |
C11 | C12 | C02 | 119.9° | 120.0° |
C12 | C11 | H9 | 119.9° | 119.8° |
C11 | C12 | H10 | 120.0° | 120.0° |
C03 | C02 | C12 | 119.9° | 119.7° |
C03 | C02 | C01 | 119.9° | 120.2° |
C02 | C03 | H4 | 119.9° | 120.1° |
C12 | C02 | C01 | 120.2° | 120.2° |
C02 | C12 | H10 | 120.1° | 120.0° |
C02 | C01 | H1 | 112.2° | 120.0° |
C02 | C01 | O1 | 135.5° | 120.0° |
H1 | C01 | O1 | 112.2° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N08 | C07 | C06 | H6 | 180.0° | 180.0° |
N08 | C07 | C06 | N05 | 0.1° | 0.0° |
C07 | N08 | C09 | N05 | 0.1° | 0.5° |
N08 | C07 | C06 | H5 | 179.9° | 179.7° |
C07 | N08 | C09 | H7 | 179.9° | 180.0° |
C06 | C07 | N08 | C09 | 0.0° | 0.3° |
C07 | C06 | N05 | H5 | 180.0° | 179.7° |
C07 | C06 | N05 | C09 | 0.1° | 0.3° |
C07 | C06 | N05 | C04 | 179.9° | 179.8° |
N08 | C09 | N05 | C06 | 0.1° | 0.5° |
N08 | C09 | N05 | H7 | 180.0° | 179.5° |
N08 | C09 | N05 | C04 | 179.9° | 179.6° |
C09 | N08 | C07 | H6 | 180.0° | 179.8° |
C06 | N05 | C09 | C04 | 179.8° | 179.9° |
C06 | N05 | C04 | C10 | 112.7° | 0.1° |
C06 | N05 | C04 | C03 | 67.5° | 180.0° |
N05 | C06 | C07 | H6 | 179.9° | 179.9° |
C06 | N05 | C09 | H7 | 179.9° | 180.0° |
C09 | N05 | C04 | C10 | 67.1° | 180.0° |
C09 | N05 | C04 | C03 | 112.8° | 0.0° |
C09 | N05 | C06 | H5 | 179.9° | 180.0° |
N05 | C04 | C10 | C03 | 179.9° | 179.9° |
N05 | C04 | C10 | C11 | 179.9° | 180.0° |
N05 | C04 | C03 | C02 | 179.7° | 180.0° |
N05 | C04 | C03 | H4 | 0.3° | 0.0° |
C04 | N05 | C06 | H5 | 0.1° | 0.1° |
C04 | N05 | C09 | H7 | 0.1° | 0.1° |
N05 | C04 | C10 | H8 | 0.1° | 0.0° |
C04 | C10 | C11 | H8 | 180.0° | 180.0° |
C04 | C10 | C11 | C12 | 0.1° | 0.2° |
C10 | C04 | C03 | C02 | 0.1° | 0.0° |
C10 | C04 | C03 | H4 | 179.8° | 179.9° |
C04 | C10 | C11 | H9 | 179.9° | 180.0° |
C11 | C10 | C04 | C03 | 0.0° | 0.1° |
C10 | C11 | C12 | H9 | 180.0° | 179.8° |
C10 | C11 | C12 | C02 | 0.1° | 0.5° |
C10 | C11 | C12 | H10 | 179.9° | 180.0° |
C04 | C03 | C02 | H4 | 180.0° | 180.0° |
C04 | C03 | C02 | C12 | 0.2° | 0.3° |
C04 | C03 | C02 | C01 | 180.0° | 180.0° |
C03 | C04 | C10 | H8 | 180.0° | 180.0° |
C11 | C12 | C02 | C03 | 0.1° | 0.6° |
C11 | C12 | C02 | H10 | 180.0° | 179.5° |
C11 | C12 | C02 | C01 | 179.8° | 179.7° |
C12 | C11 | C10 | H8 | 179.9° | 179.8° |
C03 | C02 | C12 | C01 | 179.8° | 179.7° |
C03 | C02 | C01 | H1 | 51.1° | 180.0° |
C03 | C02 | C12 | H10 | 179.9° | 180.0° |
C03 | C02 | C01 | O1 | 128.9° | 0.2° |
C12 | C02 | C01 | H1 | 128.7° | 0.3° |
C12 | C02 | C03 | H4 | 179.8° | 179.8° |
C02 | C12 | C11 | H9 | 179.9° | 179.7° |
C12 | C02 | C01 | O1 | 51.3° | 179.5° |
C02 | C01 | H1 | O1 | 180.0° | 179.8° |
C01 | C02 | C03 | H4 | 0.0° | 0.1° |
C01 | C02 | C12 | H10 | 0.2° | 0.3° |
H5 | C06 | C07 | H6 | 0.1° | 0.2° |
H8 | C10 | C11 | H9 | 0.1° | 0.0° |
H9 | C11 | C12 | H10 | 0.1° | 0.2° |