0NX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
C3 | C7 | sing | 1.48Å | 1.48Å | |
C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
C8 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
C8 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | O11 | sing | 1.34Å | 1.36Å | Aromatic |
O13 | C12 | sing | 1.43Å | 1.43Å | |
C12 | C9 | sing | 1.51Å | 1.50Å | |
C9 | N10 | doub | 1.30Å | 1.35Å | Aromatic |
O11 | N10 | sing | 1.21Å | 1.42Å | Aromatic |
O13 | H1 | sing | 0.97Å | 0.95Å | |
C12 | H2 | sing | 1.09Å | 1.10Å | |
C12 | H3 | sing | 1.09Å | 1.10Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C2 | H5 | sing | 1.08Å | 1.08Å | |
C4 | H6 | sing | 1.08Å | 1.08Å | |
C5 | H7 | sing | 1.08Å | 1.08Å | |
C6 | H8 | sing | 1.08Å | 1.08Å | |
C1 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | C5 | C6 | 118.8° | 120.1° |
C5 | C4 | C3 | 120.4° | 119.9° |
C5 | C4 | H6 | 119.8° | 120.1° |
C4 | C5 | H7 | 120.6° | 119.9° |
C5 | C6 | C1 | 120.9° | 120.3° |
C6 | C5 | H7 | 120.6° | 119.9° |
C5 | C6 | H8 | 119.6° | 119.8° |
C4 | C3 | C7 | 120.7° | 120.1° |
C4 | C3 | C2 | 121.0° | 119.7° |
C3 | C4 | H6 | 119.8° | 120.0° |
C6 | C1 | C2 | 120.6° | 120.1° |
C1 | C6 | H8 | 119.6° | 119.9° |
C6 | C1 | H9 | 119.7° | 120.0° |
C7 | C3 | C2 | 118.2° | 120.1° |
C3 | C7 | C8 | 128.9° | 126.9° |
C3 | C7 | O11 | 126.8° | 126.9° |
C3 | C2 | C1 | 118.3° | 119.8° |
C3 | C2 | H5 | 120.8° | 120.1° |
C7 | C8 | C9 | 109.2° | 103.9° |
C8 | C7 | O11 | 104.2° | 106.2° |
C7 | C8 | H4 | 125.4° | 128.1° |
C8 | C9 | C12 | 124.4° | 126.7° |
C8 | C9 | N10 | 110.1° | 106.6° |
C9 | C8 | H4 | 125.4° | 128.0° |
C1 | C2 | H5 | 120.9° | 120.0° |
C2 | C1 | H9 | 119.7° | 119.9° |
C7 | O11 | N10 | 113.0° | 111.5° |
O13 | C12 | C9 | 108.6° | 109.5° |
C12 | O13 | H1 | 109.5° | 114.0° |
O13 | C12 | H2 | 109.7° | 109.4° |
O13 | C12 | H3 | 109.7° | 109.4° |
C12 | C9 | N10 | 125.5° | 126.7° |
C9 | C12 | H2 | 109.7° | 109.6° |
C9 | C12 | H3 | 109.7° | 109.5° |
C9 | N10 | O11 | 103.4° | 111.9° |
H2 | C12 | H3 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | C5 | C6 | H7 | 180.0° | 179.9° |
C5 | C4 | C3 | H6 | 180.0° | 180.0° |
C4 | C5 | C6 | C1 | 0.3° | 0.2° |
C5 | C4 | C3 | C7 | 178.1° | 180.0° |
C5 | C4 | C3 | C2 | 0.9° | 0.3° |
C4 | C5 | C6 | H8 | 179.7° | 180.0° |
C6 | C5 | C4 | C3 | 0.7° | 0.0° |
C5 | C6 | C1 | H8 | 180.0° | 179.8° |
C5 | C6 | C1 | C2 | 0.1° | 0.2° |
C6 | C5 | C4 | H6 | 179.3° | 180.0° |
C5 | C6 | C1 | H9 | 179.9° | 180.0° |
C4 | C3 | C7 | C2 | 177.3° | 179.7° |
C4 | C3 | C7 | C8 | 14.9° | 0.3° |
C4 | C3 | C2 | C1 | 0.6° | 0.3° |
C4 | C3 | C7 | O11 | 162.3° | 179.9° |
C4 | C3 | C2 | H5 | 179.4° | 179.7° |
C3 | C4 | C5 | H7 | 179.3° | 180.0° |
C6 | C1 | C2 | C3 | 0.2° | 0.0° |
C6 | C1 | C2 | H9 | 180.0° | 179.8° |
C6 | C1 | C2 | H5 | 179.8° | 180.0° |
C1 | C6 | C5 | H7 | 179.7° | 179.7° |
C3 | C7 | C8 | O11 | 177.7° | 179.9° |
C3 | C7 | C8 | C9 | 178.9° | 180.0° |
C7 | C3 | C2 | C1 | 177.9° | 180.0° |
C3 | C7 | O11 | N10 | 179.0° | 179.9° |
C3 | C7 | C8 | H4 | 1.1° | 0.0° |
C7 | C3 | C2 | H5 | 2.1° | 0.0° |
C7 | C3 | C4 | H6 | 1.9° | 0.0° |
C2 | C3 | C7 | C8 | 167.7° | 180.0° |
C3 | C2 | C1 | H5 | 180.0° | 180.0° |
C2 | C3 | C7 | O11 | 15.0° | 0.2° |
C2 | C3 | C4 | H6 | 179.1° | 179.7° |
C3 | C2 | C1 | H9 | 179.8° | 179.7° |
C7 | C8 | C9 | H4 | 180.0° | 180.0° |
C7 | C8 | C9 | C12 | 179.6° | 179.9° |
C7 | C8 | C9 | N10 | 0.8° | 0.2° |
C8 | C7 | O11 | N10 | 1.2° | 0.0° |
C9 | C8 | C7 | O11 | 1.2° | 0.2° |
C8 | C9 | C12 | O13 | 70.2° | 0.4° |
C8 | C9 | C12 | N10 | 179.5° | 179.6° |
C8 | C9 | N10 | O11 | 0.1° | 0.2° |
C8 | C9 | C12 | H2 | 49.6° | 119.7° |
C8 | C9 | C12 | H3 | 169.9° | 120.3° |
C2 | C1 | C6 | H8 | 179.9° | 180.0° |
C7 | O11 | N10 | C9 | 0.7° | 0.1° |
O11 | C7 | C8 | H4 | 178.8° | 179.8° |
O13 | C12 | C9 | H2 | 119.9° | 120.0° |
O13 | C12 | C9 | H3 | 119.9° | 119.9° |
O13 | C12 | C9 | N10 | 109.2° | 180.0° |
O13 | C12 | H2 | H3 | 120.4° | 119.9° |
C12 | C9 | N10 | O11 | 179.6° | 179.9° |
C9 | C12 | O13 | H1 | 180.0° | 180.0° |
C9 | C12 | H2 | H3 | 120.4° | 120.0° |
C12 | C9 | C8 | H4 | 0.4° | 0.1° |
N10 | C9 | C12 | H2 | 130.9° | 59.9° |
N10 | C9 | C12 | H3 | 10.6° | 60.1° |
N10 | C9 | C8 | H4 | 179.1° | 179.8° |
H1 | O13 | C12 | H2 | 60.1° | 59.9° |
H1 | O13 | C12 | H3 | 60.1° | 60.0° |
H5 | C2 | C1 | H9 | 0.2° | 0.3° |
H6 | C4 | C5 | H7 | 0.7° | 0.0° |
H7 | C5 | C6 | H8 | 0.3° | 0.0° |
H8 | C6 | C1 | H9 | 0.1° | 0.3° |