ZC9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F01 | C02 | sing | 1.35Å | 1.37Å | |
C02 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
C07 | N06 | sing | 1.32Å | 1.32Å | Aromatic |
C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
N06 | C05 | doub | 1.33Å | 1.32Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
C05 | C08 | sing | 1.48Å | 1.38Å | |
C08 | N12 | sing | 1.36Å | 1.32Å | Aromatic |
C08 | C09 | doub | 1.37Å | 1.39Å | Aromatic |
N12 | N11 | sing | 1.40Å | 1.36Å | Aromatic |
C09 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
N11 | C10 | doub | 1.31Å | 1.32Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
N12 | H2 | sing | 0.97Å | 1.00Å | |
C03 | H3 | sing | 1.08Å | 1.08Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C07 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F01 | C02 | C07 | 121.8° | 120.3° |
F01 | C02 | C03 | 119.3° | 120.4° |
C07 | C02 | C03 | 118.8° | 119.4° |
C02 | C07 | N06 | 121.7° | 120.8° |
C02 | C07 | H5 | 119.2° | 119.6° |
C02 | C03 | C04 | 118.4° | 118.5° |
C02 | C03 | H3 | 120.8° | 120.8° |
C07 | N06 | C05 | 120.1° | 121.7° |
N06 | C07 | H5 | 119.2° | 119.6° |
C03 | C04 | C05 | 119.7° | 119.1° |
C04 | C03 | H3 | 120.8° | 120.7° |
C03 | C04 | H4 | 120.2° | 120.5° |
N06 | C05 | C04 | 121.3° | 120.5° |
N06 | C05 | C08 | 120.5° | 119.7° |
C04 | C05 | C08 | 118.2° | 119.7° |
C05 | C04 | H4 | 120.2° | 120.4° |
C05 | C08 | N12 | 126.9° | 126.4° |
C05 | C08 | C09 | 125.2° | 126.3° |
N12 | C08 | C09 | 107.9° | 107.3° |
C08 | N12 | N11 | 108.5° | 107.7° |
C08 | N12 | H2 | 125.8° | 126.1° |
C08 | C09 | C10 | 106.6° | 107.8° |
C08 | C09 | H6 | 126.7° | 126.1° |
N12 | N11 | C10 | 109.3° | 108.5° |
N11 | N12 | H2 | 125.8° | 126.2° |
C09 | C10 | N11 | 107.7° | 108.6° |
C09 | C10 | H1 | 126.2° | 125.7° |
C10 | C09 | H6 | 126.7° | 126.1° |
N11 | C10 | H1 | 126.2° | 125.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F01 | C02 | C07 | C03 | 178.5° | 179.8° |
F01 | C02 | C07 | N06 | 179.5° | 179.7° |
F01 | C02 | C03 | C04 | 179.4° | 180.0° |
F01 | C02 | C03 | H3 | 0.6° | 0.0° |
F01 | C02 | C07 | H5 | 0.5° | 0.1° |
C02 | C07 | N06 | H5 | 180.0° | 179.8° |
C07 | C02 | C03 | C04 | 2.1° | 0.2° |
C02 | C07 | N06 | C05 | 0.0° | 0.6° |
C07 | C02 | C03 | H3 | 177.9° | 179.8° |
C03 | C02 | C07 | N06 | 1.1° | 0.5° |
C02 | C03 | C04 | H3 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 2.1° | 0.0° |
C02 | C03 | C04 | H4 | 178.0° | 180.0° |
C03 | C02 | C07 | H5 | 178.9° | 179.7° |
C07 | N06 | C05 | C04 | 0.1° | 0.3° |
C07 | N06 | C05 | C08 | 178.5° | 179.7° |
C03 | C04 | C05 | N06 | 1.0° | 0.0° |
C03 | C04 | C05 | H4 | 180.0° | 179.9° |
C03 | C04 | C05 | C08 | 179.6° | 180.0° |
N06 | C05 | C04 | C08 | 178.6° | 180.0° |
N06 | C05 | C08 | N12 | 9.5° | 179.9° |
N06 | C05 | C08 | C09 | 168.5° | 0.1° |
N06 | C05 | C04 | H4 | 179.0° | 180.0° |
C05 | N06 | C07 | H5 | 180.0° | 179.7° |
C04 | C05 | C08 | N12 | 171.9° | 0.1° |
C04 | C05 | C08 | C09 | 10.1° | 180.0° |
C05 | C04 | C03 | H3 | 178.0° | 180.0° |
C05 | C08 | N12 | C09 | 178.3° | 179.9° |
C05 | C08 | N12 | N11 | 179.5° | 180.0° |
C05 | C08 | C09 | C10 | 178.8° | 179.8° |
C05 | C08 | N12 | H2 | 0.5° | 0.2° |
C08 | C05 | C04 | H4 | 0.5° | 0.1° |
C05 | C08 | C09 | H6 | 1.2° | 0.2° |
C08 | N12 | N11 | H2 | 180.0° | 179.9° |
N12 | C08 | C09 | C10 | 0.4° | 0.1° |
C08 | N12 | N11 | C10 | 1.4° | 0.2° |
N12 | C08 | C09 | H6 | 179.6° | 179.9° |
C09 | C08 | N12 | N11 | 1.1° | 0.0° |
C08 | C09 | C10 | H6 | 180.0° | 180.0° |
C08 | C09 | C10 | N11 | 0.4° | 0.2° |
C08 | C09 | C10 | H1 | 179.6° | 180.0° |
C09 | C08 | N12 | H2 | 178.9° | 179.9° |
N12 | N11 | C10 | C09 | 1.1° | 0.2° |
N12 | N11 | C10 | H1 | 178.9° | 180.0° |
C09 | C10 | N11 | H1 | 180.0° | 179.8° |
C10 | N11 | N12 | H2 | 178.6° | 180.0° |
N11 | C10 | C09 | H6 | 179.5° | 179.7° |
H1 | C10 | C09 | H6 | 0.5° | 0.0° |
H3 | C03 | C04 | H4 | 2.0° | 0.0° |