6R6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O09 | N07 | sing | 1.22Å | 1.40Å | |
O08 | N07 | doub | 1.22Å | 1.17Å | |
N07 | C06 | sing | 1.48Å | 1.44Å | |
C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | C01 | sing | 1.39Å | 1.38Å | Aromatic |
C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
O12 | C10 | doub | 1.22Å | 1.27Å | |
C04 | C10 | sing | 1.47Å | 1.53Å | |
C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
C10 | O11 | sing | 1.35Å | 1.26Å | |
C03 | N13 | sing | 1.39Å | 1.44Å | |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
O11 | H4 | sing | 0.97Å | 0.95Å | |
N13 | H5 | sing | 0.97Å | 1.00Å | |
N13 | H6 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O09 | N07 | O08 | 120.1° | 120.0° |
O09 | N07 | C06 | 122.5° | 120.0° |
O08 | N07 | C06 | 117.4° | 119.9° |
N07 | C06 | C05 | 120.7° | 119.8° |
N07 | C06 | C01 | 118.6° | 119.8° |
C05 | C06 | C01 | 120.7° | 120.4° |
C06 | C05 | C04 | 119.3° | 119.9° |
C06 | C05 | H3 | 120.3° | 120.0° |
C06 | C01 | C02 | 120.1° | 120.4° |
C06 | C01 | H1 | 119.9° | 119.8° |
C05 | C04 | C10 | 119.1° | 120.2° |
C05 | C04 | C03 | 120.0° | 119.6° |
C04 | C05 | H3 | 120.4° | 120.0° |
C01 | C02 | C03 | 119.6° | 120.1° |
C02 | C01 | H1 | 119.9° | 119.8° |
C01 | C02 | H2 | 120.2° | 119.9° |
O12 | C10 | C04 | 120.9° | 120.0° |
O12 | C10 | O11 | 120.8° | 120.0° |
C10 | C04 | C03 | 120.9° | 120.2° |
C04 | C10 | O11 | 118.3° | 120.0° |
C04 | C03 | C02 | 120.4° | 119.6° |
C04 | C03 | N13 | 121.6° | 120.2° |
C02 | C03 | N13 | 118.0° | 120.2° |
C03 | C02 | H2 | 120.2° | 120.0° |
C10 | O11 | H4 | 109.5° | 117.0° |
C03 | N13 | H5 | 109.5° | 120.0° |
C03 | N13 | H6 | 109.4° | 120.0° |
H5 | N13 | H6 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O09 | N07 | O08 | C06 | 179.9° | 180.0° |
O09 | N07 | C06 | C05 | 38.5° | 180.0° |
O09 | N07 | C06 | C01 | 141.9° | 0.5° |
O08 | N07 | C06 | C05 | 141.4° | 0.0° |
O08 | N07 | C06 | C01 | 38.2° | 179.5° |
N07 | C06 | C05 | C01 | 179.6° | 179.5° |
N07 | C06 | C05 | C04 | 179.8° | 179.9° |
N07 | C06 | C01 | C02 | 179.8° | 179.9° |
N07 | C06 | C01 | H1 | 0.2° | 0.2° |
N07 | C06 | C05 | H3 | 0.2° | 0.2° |
C06 | C05 | C04 | H3 | 180.0° | 179.7° |
C05 | C06 | C01 | C02 | 0.1° | 0.6° |
C06 | C05 | C04 | C10 | 180.0° | 179.8° |
C06 | C05 | C04 | C03 | 0.3° | 0.3° |
C05 | C06 | C01 | H1 | 179.8° | 179.7° |
C01 | C06 | C05 | C04 | 0.2° | 0.6° |
C06 | C01 | C02 | H1 | 180.0° | 179.7° |
C06 | C01 | C02 | C03 | 0.1° | 0.3° |
C06 | C01 | C02 | H2 | 179.9° | 179.8° |
C01 | C06 | C05 | H3 | 179.8° | 179.7° |
C05 | C04 | C10 | O12 | 16.4° | 174.1° |
C05 | C04 | C10 | C03 | 179.7° | 179.9° |
C05 | C04 | C03 | C02 | 0.2° | 0.1° |
C05 | C04 | C10 | O11 | 163.5° | 5.8° |
C05 | C04 | C03 | N13 | 179.2° | 180.0° |
C01 | C02 | C03 | C04 | 0.1° | 0.1° |
C01 | C02 | C03 | H2 | 180.0° | 179.9° |
C01 | C02 | C03 | N13 | 179.3° | 180.0° |
O12 | C10 | C04 | O11 | 179.9° | 179.9° |
O12 | C10 | C04 | C03 | 163.9° | 6.0° |
O12 | C10 | O11 | H4 | 0.0° | 0.0° |
C10 | C04 | C03 | C02 | 179.9° | 180.0° |
C10 | C04 | C03 | N13 | 0.5° | 0.1° |
C10 | C04 | C05 | H3 | 0.0° | 0.1° |
C04 | C10 | O11 | H4 | 179.9° | 179.9° |
C04 | C03 | C02 | N13 | 179.5° | 180.0° |
C03 | C04 | C10 | O11 | 16.2° | 174.1° |
C04 | C03 | C02 | H2 | 179.9° | 180.0° |
C03 | C04 | C05 | H3 | 179.7° | 180.0° |
C04 | C03 | N13 | H5 | 180.0° | 174.4° |
C04 | C03 | N13 | H6 | 60.0° | 5.5° |
C03 | C02 | C01 | H1 | 179.9° | 180.0° |
C02 | C03 | N13 | H5 | 0.6° | 5.6° |
C02 | C03 | N13 | H6 | 119.5° | 174.4° |
N13 | C03 | C02 | H2 | 0.7° | 0.1° |
C03 | N13 | H5 | H6 | 120.0° | 179.9° |
H1 | C01 | C02 | H2 | 0.1° | 0.1° |