7W4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C05 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.41Å | 1.38Å | Aromatic |
N03 | C04 | doub | 1.32Å | 1.35Å | Aromatic |
N03 | C02 | sing | 1.34Å | 1.38Å | Aromatic |
C06 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
C04 | N09 | sing | 1.38Å | 1.37Å | Aromatic |
C01 | C02 | sing | 1.51Å | 1.51Å | |
C02 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
C07 | C08 | doub | 1.35Å | 1.38Å | Aromatic |
N09 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
N09 | C08 | sing | 1.37Å | 1.36Å | Aromatic |
C10 | N11 | sing | 1.40Å | 1.32Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C05 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
C08 | H7 | sing | 1.08Å | 1.08Å | |
N11 | H8 | sing | 0.97Å | 1.00Å | |
N11 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C06 | C05 | C04 | 117.9° | 119.4° |
C05 | C06 | C07 | 120.7° | 119.8° |
C06 | C05 | H4 | 121.0° | 120.3° |
C05 | C06 | H5 | 119.7° | 120.1° |
C05 | C04 | N03 | 130.5° | 132.4° |
C05 | C04 | N09 | 121.5° | 119.5° |
C04 | C05 | H4 | 121.1° | 120.3° |
C04 | N03 | C02 | 107.2° | 109.2° |
N03 | C04 | N09 | 107.9° | 108.1° |
N03 | C02 | C01 | 120.5° | 125.7° |
N03 | C02 | C10 | 109.6° | 108.6° |
C06 | C07 | C08 | 119.9° | 120.4° |
C07 | C06 | H5 | 119.7° | 120.1° |
C06 | C07 | H6 | 120.1° | 119.8° |
C04 | N09 | C10 | 110.6° | 107.0° |
C04 | N09 | C08 | 120.0° | 120.4° |
C01 | C02 | C10 | 129.9° | 125.7° |
C02 | C01 | H1 | 109.5° | 109.4° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.4° |
C02 | C10 | N09 | 104.7° | 107.1° |
C02 | C10 | N11 | 129.0° | 126.5° |
C07 | C08 | N09 | 120.0° | 120.6° |
C08 | C07 | H6 | 120.1° | 119.8° |
C07 | C08 | H7 | 120.0° | 119.7° |
C10 | N09 | C08 | 129.4° | 132.6° |
N09 | C10 | N11 | 126.3° | 126.5° |
N09 | C08 | H7 | 120.0° | 119.8° |
C10 | N11 | H8 | 109.5° | 120.0° |
C10 | N11 | H9 | 109.5° | 120.0° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.4° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H8 | N11 | H9 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C06 | C05 | C04 | H4 | 180.0° | 180.0° |
C06 | C05 | C04 | N03 | 178.8° | 180.0° |
C05 | C06 | C07 | H5 | 180.0° | 180.0° |
C06 | C05 | C04 | N09 | 1.8° | 0.0° |
C05 | C06 | C07 | C08 | 1.8° | 0.1° |
C05 | C06 | C07 | H6 | 178.2° | 180.0° |
C05 | C04 | N03 | N09 | 177.2° | 180.0° |
C05 | C04 | N03 | C02 | 178.1° | 180.0° |
C04 | C05 | C06 | C07 | 1.8° | 0.0° |
C05 | C04 | N09 | C10 | 178.6° | 179.8° |
C05 | C04 | N09 | C08 | 1.9° | 0.0° |
C04 | C05 | C06 | H5 | 178.2° | 180.0° |
C04 | N03 | C02 | C01 | 179.4° | 180.0° |
C04 | N03 | C02 | C10 | 0.3° | 0.2° |
N03 | C04 | N09 | C10 | 1.1° | 0.2° |
N03 | C04 | N09 | C08 | 179.4° | 179.9° |
N03 | C04 | C05 | H4 | 1.2° | 0.0° |
C02 | N03 | C04 | N09 | 0.8° | 0.0° |
N03 | C02 | C01 | C10 | 179.6° | 179.7° |
N03 | C02 | C10 | N09 | 0.3° | 0.3° |
N03 | C02 | C10 | N11 | 178.5° | 179.7° |
N03 | C02 | C01 | H1 | 0.0° | 89.7° |
N03 | C02 | C01 | H2 | 120.0° | 30.3° |
N03 | C02 | C01 | H3 | 120.0° | 150.3° |
C06 | C07 | C08 | H6 | 180.0° | 179.9° |
C06 | C07 | C08 | N09 | 1.8° | 0.1° |
C07 | C06 | C05 | H4 | 178.2° | 180.0° |
C06 | C07 | C08 | H7 | 178.2° | 180.0° |
C04 | N09 | C10 | C02 | 0.8° | 0.3° |
C04 | N09 | C08 | C07 | 1.8° | 0.1° |
C04 | N09 | C10 | C08 | 179.5° | 179.8° |
C04 | N09 | C10 | N11 | 178.0° | 179.7° |
N09 | C04 | C05 | H4 | 178.2° | 180.0° |
C04 | N09 | C08 | H7 | 178.2° | 180.0° |
C01 | C02 | C10 | N09 | 180.0° | 179.9° |
C01 | C02 | C10 | N11 | 1.1° | 0.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 119.9° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C02 | C10 | N09 | N11 | 178.9° | 179.9° |
C02 | C10 | N09 | C08 | 179.7° | 179.8° |
C10 | C02 | C01 | H1 | 179.6° | 90.0° |
C10 | C02 | C01 | H2 | 59.6° | 150.0° |
C10 | C02 | C01 | H3 | 60.4° | 30.0° |
C02 | C10 | N11 | H8 | 180.0° | 0.1° |
C02 | C10 | N11 | H9 | 60.0° | 180.0° |
C07 | C08 | N09 | C10 | 178.8° | 179.7° |
C07 | C08 | N09 | H7 | 180.0° | 179.9° |
C08 | C07 | C06 | H5 | 178.2° | 179.9° |
C10 | N09 | C08 | H7 | 1.3° | 0.2° |
N09 | C10 | N11 | H8 | 1.4° | 179.9° |
N09 | C10 | N11 | H9 | 121.4° | 0.1° |
C08 | N09 | C10 | N11 | 1.4° | 0.1° |
N09 | C08 | C07 | H6 | 178.2° | 180.0° |
C10 | N11 | H8 | H9 | 120.0° | 179.9° |
H1 | C01 | H2 | H3 | 119.9° | 120.1° |
H4 | C05 | C06 | H5 | 1.8° | 0.0° |
H5 | C06 | C07 | H6 | 1.8° | 0.0° |
H6 | C07 | C08 | H7 | 1.8° | 0.0° |