O10
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
BR17 | C11 | sing | 1.89Å | 1.91Å | |
C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | N13 | sing | 1.32Å | 1.33Å | Aromatic |
C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
N13 | C14 | doub | 1.32Å | 1.31Å | Aromatic |
C02 | N01 | doub | 1.32Å | 1.32Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
N01 | C06 | sing | 1.32Å | 1.34Å | Aromatic |
C10 | N15 | doub | 1.33Å | 1.33Å | Aromatic |
C10 | N09 | sing | 1.39Å | 1.38Å | |
C14 | N15 | sing | 1.32Å | 1.30Å | Aromatic |
C06 | N05 | doub | 1.31Å | 1.32Å | Aromatic |
C03 | N09 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
N09 | C08 | sing | 1.37Å | 1.41Å | Aromatic |
N05 | C04 | sing | 1.33Å | 1.33Å | Aromatic |
C04 | C07 | sing | 1.46Å | 1.44Å | Aromatic |
C08 | C07 | doub | 1.35Å | 1.34Å | Aromatic |
C02 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.08Å | 1.08Å | |
C07 | H3 | sing | 1.08Å | 1.08Å | |
C08 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.08Å | 1.08Å | |
C14 | CL1 | sing | 1.74Å | 1.78Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
BR17 | C11 | C12 | 118.0° | 120.8° |
BR17 | C11 | C10 | 125.3° | 120.8° |
C11 | C12 | N13 | 122.5° | 119.2° |
C12 | C11 | C10 | 116.8° | 118.3° |
C11 | C12 | H5 | 118.8° | 120.4° |
C12 | N13 | C14 | 116.0° | 121.0° |
N13 | C12 | H5 | 118.7° | 120.5° |
C11 | C10 | N15 | 119.3° | 119.0° |
C11 | C10 | N09 | 127.9° | 120.5° |
N13 | C14 | N15 | 125.9° | 121.8° |
N13 | C14 | CL1 | 122.0° | 119.1° |
N01 | C02 | C03 | 119.0° | 118.8° |
C02 | N01 | C06 | 119.5° | 121.5° |
N01 | C02 | H1 | 120.5° | 120.6° |
C02 | C03 | N09 | 134.2° | 134.6° |
C02 | C03 | C04 | 118.4° | 118.1° |
C03 | C02 | H1 | 120.5° | 120.6° |
N01 | C06 | N05 | 125.0° | 122.3° |
N01 | C06 | H2 | 117.5° | 118.8° |
N15 | C10 | N09 | 112.8° | 120.5° |
C10 | N15 | C14 | 119.5° | 120.7° |
C10 | N09 | C03 | 129.8° | 125.1° |
C10 | N09 | C08 | 122.7° | 125.1° |
N15 | C14 | CL1 | 111.5° | 119.1° |
C06 | N05 | C04 | 116.5° | 120.3° |
N05 | C06 | H2 | 117.5° | 118.9° |
N09 | C03 | C04 | 107.4° | 107.2° |
C03 | N09 | C08 | 107.6° | 109.7° |
C03 | C04 | N05 | 121.6° | 119.1° |
C03 | C04 | C07 | 107.8° | 106.0° |
N09 | C08 | C07 | 110.5° | 110.0° |
N09 | C08 | H4 | 124.8° | 125.0° |
N05 | C04 | C07 | 130.6° | 134.9° |
C04 | C07 | C08 | 106.7° | 107.1° |
C04 | C07 | H3 | 126.7° | 126.5° |
C08 | C07 | H3 | 126.6° | 126.4° |
C07 | C08 | H4 | 124.8° | 125.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
BR17 | C11 | C12 | C10 | 179.5° | 180.0° |
BR17 | C11 | C12 | N13 | 179.8° | 180.0° |
BR17 | C11 | C10 | N15 | 179.9° | 180.0° |
BR17 | C11 | C10 | N09 | 1.0° | 0.3° |
BR17 | C11 | C12 | H5 | 0.2° | 0.0° |
C11 | C12 | N13 | H5 | 180.0° | 180.0° |
C11 | C12 | N13 | C14 | 0.7° | 0.0° |
C12 | C11 | C10 | N15 | 0.4° | 0.0° |
C12 | C11 | C10 | N09 | 179.5° | 179.7° |
N13 | C12 | C11 | C10 | 0.3° | 0.0° |
C12 | N13 | C14 | N15 | 1.7° | 0.0° |
C12 | N13 | C14 | CL1 | 169.3° | 180.0° |
C11 | C10 | N15 | N09 | 179.2° | 179.7° |
C11 | C10 | N15 | C14 | 0.4° | 0.0° |
C11 | C10 | N09 | C03 | 58.1° | 130.2° |
C11 | C10 | N09 | C08 | 123.3° | 49.9° |
C10 | C11 | C12 | H5 | 179.7° | 180.0° |
N13 | C14 | N15 | C10 | 1.6° | 0.0° |
N13 | C14 | N15 | CL1 | 171.9° | 180.0° |
C14 | N13 | C12 | H5 | 179.3° | 180.0° |
N01 | C02 | C03 | H1 | 180.0° | 179.7° |
C02 | N01 | C06 | N05 | 0.0° | 0.0° |
N01 | C02 | C03 | N09 | 179.8° | 180.0° |
N01 | C02 | C03 | C04 | 0.2° | 0.0° |
C02 | N01 | C06 | H2 | 180.0° | 180.0° |
C03 | C02 | N01 | C06 | 0.1° | 0.0° |
C02 | C03 | N09 | C10 | 1.0° | 0.0° |
C02 | C03 | N09 | C04 | 179.9° | 180.0° |
C02 | C03 | N09 | C08 | 179.7° | 180.0° |
C02 | C03 | C04 | N05 | 0.2° | 0.0° |
C02 | C03 | C04 | C07 | 179.9° | 180.0° |
N01 | C06 | N05 | H2 | 180.0° | 180.0° |
N01 | C06 | N05 | C04 | 0.0° | 0.0° |
C06 | N01 | C02 | H1 | 179.9° | 179.7° |
N15 | C10 | N09 | C03 | 121.1° | 49.5° |
N15 | C10 | N09 | C08 | 57.5° | 130.4° |
C10 | N15 | C14 | CL1 | 170.2° | 180.0° |
N09 | C10 | N15 | C14 | 178.8° | 179.7° |
C10 | N09 | C03 | C08 | 178.7° | 180.0° |
C10 | N09 | C03 | C04 | 179.1° | 180.0° |
C10 | N09 | C08 | C07 | 179.3° | 180.0° |
C10 | N09 | C08 | H4 | 0.7° | 0.0° |
C06 | N05 | C04 | C03 | 0.1° | 0.0° |
C06 | N05 | C04 | C07 | 180.0° | 180.0° |
N09 | C03 | C04 | N05 | 179.8° | 180.0° |
N09 | C03 | C04 | C07 | 0.2° | 0.0° |
C03 | N09 | C08 | C07 | 0.4° | 0.0° |
N09 | C03 | C02 | H1 | 0.2° | 0.2° |
C03 | N09 | C08 | H4 | 179.6° | 180.0° |
C04 | C03 | N09 | C08 | 0.3° | 0.0° |
C03 | C04 | N05 | C07 | 179.9° | 180.0° |
C03 | C04 | C07 | C08 | 0.1° | 0.0° |
C04 | C03 | C02 | H1 | 179.8° | 179.7° |
C03 | C04 | C07 | H3 | 179.9° | 180.0° |
N09 | C08 | C07 | C04 | 0.3° | 0.0° |
N09 | C08 | C07 | H4 | 180.0° | 180.0° |
N09 | C08 | C07 | H3 | 179.7° | 180.0° |
N05 | C04 | C07 | C08 | 180.0° | 180.0° |
C04 | N05 | C06 | H2 | 180.0° | 180.0° |
N05 | C04 | C07 | H3 | 0.0° | 0.0° |
C04 | C07 | C08 | H3 | 180.0° | 180.0° |
C04 | C07 | C08 | H4 | 179.7° | 180.0° |
H3 | C07 | C08 | H4 | 0.3° | 0.0° |