ZAW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | N02 | sing | 1.32Å | 1.40Å | Aromatic |
C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
N02 | C12 | doub | 1.32Å | 1.40Å | Aromatic |
C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
C12 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
C07 | C02 | sing | 1.48Å | 1.39Å | |
C05 | N01 | doub | 1.32Å | 1.40Å | Aromatic |
C04 | C02 | sing | 1.48Å | 1.39Å | |
C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
C02 | O01 | doub | 1.22Å | 1.43Å | |
N01 | C03 | sing | 1.32Å | 1.40Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H7 | sing | 1.08Å | 1.08Å | |
C12 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C09 | C10 | N02 | 119.9° | 121.1° |
C10 | C09 | C08 | 120.1° | 119.4° |
C10 | C09 | H6 | 120.0° | 120.4° |
C09 | C10 | H7 | 120.1° | 119.4° |
C10 | N02 | C12 | 119.9° | 121.9° |
N02 | C10 | H7 | 120.1° | 119.4° |
C09 | C08 | C07 | 120.3° | 118.2° |
C09 | C08 | H5 | 119.8° | 120.9° |
C08 | C09 | H6 | 120.0° | 120.3° |
N02 | C12 | C07 | 119.9° | 120.6° |
N02 | C12 | H8 | 120.1° | 119.7° |
C08 | C07 | C12 | 120.1° | 118.9° |
C08 | C07 | C02 | 120.0° | 120.5° |
C07 | C08 | H5 | 119.9° | 120.9° |
C01 | C06 | C05 | 120.1° | 119.3° |
C06 | C01 | C04 | 120.3° | 118.3° |
C06 | C01 | H1 | 119.8° | 120.8° |
C01 | C06 | H2 | 120.0° | 120.4° |
C06 | C05 | N01 | 119.8° | 121.1° |
C05 | C06 | H2 | 120.0° | 120.4° |
C06 | C05 | H3 | 120.0° | 119.4° |
C01 | C04 | C02 | 120.0° | 120.6° |
C01 | C04 | C03 | 120.0° | 118.9° |
C04 | C01 | H1 | 119.8° | 120.9° |
C12 | C07 | C02 | 119.9° | 120.6° |
C07 | C12 | H8 | 120.1° | 119.7° |
C07 | C02 | C04 | 109.5° | 120.0° |
C07 | C02 | O01 | 109.4° | 120.0° |
C05 | N01 | C03 | 119.9° | 121.9° |
N01 | C05 | H3 | 120.1° | 119.5° |
C02 | C04 | C03 | 119.9° | 120.6° |
C04 | C02 | O01 | 109.5° | 120.0° |
C04 | C03 | N01 | 119.9° | 120.5° |
C04 | C03 | H4 | 120.1° | 119.7° |
N01 | C03 | H4 | 120.0° | 119.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C09 | C10 | N02 | H7 | 180.0° | 180.0° |
C10 | C09 | C08 | H6 | 180.0° | 179.9° |
C09 | C10 | N02 | C12 | 0.1° | 0.3° |
C10 | C09 | C08 | C07 | 0.1° | 0.0° |
C10 | C09 | C08 | H5 | 179.9° | 180.0° |
N02 | C10 | C09 | C08 | 0.1° | 0.0° |
C10 | N02 | C12 | C07 | 0.1° | 0.6° |
N02 | C10 | C09 | H6 | 179.9° | 179.9° |
C10 | N02 | C12 | H8 | 179.9° | 180.0° |
C09 | C08 | C07 | H5 | 180.0° | 180.0° |
C09 | C08 | C07 | C12 | 0.1° | 0.2° |
C09 | C08 | C07 | C02 | 180.0° | 180.0° |
C08 | C09 | C10 | H7 | 179.9° | 180.0° |
N02 | C12 | C07 | C08 | 0.1° | 0.5° |
N02 | C12 | C07 | H8 | 180.0° | 179.5° |
N02 | C12 | C07 | C02 | 180.0° | 179.7° |
C12 | N02 | C10 | H7 | 179.9° | 179.7° |
C08 | C07 | C12 | C02 | 179.9° | 179.8° |
C08 | C07 | C02 | C04 | 47.8° | 22.1° |
C08 | C07 | C02 | O01 | 72.2° | 157.9° |
C07 | C08 | C09 | H6 | 179.9° | 179.9° |
C08 | C07 | C12 | H8 | 179.9° | 180.0° |
C01 | C06 | C05 | H2 | 180.0° | 179.9° |
C06 | C01 | C04 | H1 | 180.0° | 179.7° |
C01 | C06 | C05 | N01 | 0.0° | 0.0° |
C06 | C01 | C04 | C02 | 179.9° | 179.7° |
C06 | C01 | C04 | C03 | 0.1° | 0.0° |
C01 | C06 | C05 | H3 | 179.9° | 180.0° |
C05 | C06 | C01 | C04 | 0.1° | 0.0° |
C06 | C05 | N01 | H3 | 180.0° | 179.9° |
C06 | C05 | N01 | C03 | 0.0° | 0.1° |
C05 | C06 | C01 | H1 | 179.9° | 179.7° |
C01 | C04 | C02 | C07 | 26.5° | 22.2° |
C01 | C04 | C02 | C03 | 180.0° | 179.8° |
C01 | C04 | C02 | O01 | 93.5° | 157.8° |
C01 | C04 | C03 | N01 | 0.0° | 0.0° |
C04 | C01 | C06 | H2 | 179.9° | 180.0° |
C01 | C04 | C03 | H4 | 180.0° | 180.0° |
C12 | C07 | C02 | C04 | 132.1° | 157.7° |
C12 | C07 | C02 | O01 | 107.9° | 22.3° |
C12 | C07 | C08 | H5 | 179.9° | 179.8° |
C07 | C02 | C04 | O01 | 120.0° | 180.0° |
C07 | C02 | C04 | C03 | 153.5° | 157.6° |
C02 | C07 | C08 | H5 | 0.0° | 0.0° |
C02 | C07 | C12 | H8 | 0.0° | 0.3° |
C05 | N01 | C03 | C04 | 0.0° | 0.1° |
N01 | C05 | C06 | H2 | 180.0° | 179.9° |
C05 | N01 | C03 | H4 | 180.0° | 180.0° |
C02 | C04 | C03 | N01 | 180.0° | 179.8° |
C02 | C04 | C01 | H1 | 0.1° | 0.0° |
C02 | C04 | C03 | H4 | 0.0° | 0.3° |
C03 | C04 | C02 | O01 | 86.5° | 22.5° |
C04 | C03 | N01 | H4 | 180.0° | 179.9° |
C03 | C04 | C01 | H1 | 179.9° | 179.7° |
C03 | N01 | C05 | H3 | 180.0° | 180.0° |
H1 | C01 | C06 | H2 | 0.1° | 0.3° |
H2 | C06 | C05 | H3 | 0.0° | 0.0° |
H5 | C08 | C09 | H6 | 0.1° | 0.1° |
H6 | C09 | C10 | H7 | 0.1° | 0.1° |