F0M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | N1 | doub | 1.22Å | 1.22Å | |
N1 | O2 | doub | 1.22Å | 1.22Å | |
N1 | C6 | sing | 1.48Å | 1.50Å | |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
C7 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C3 | O4 | sing | 1.36Å | 1.36Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C2 | O1 | sing | 1.36Å | 1.36Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H6 | sing | 1.08Å | 1.08Å | |
O4 | H7 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | N1 | O2 | 122.3° | 120.0° |
O3 | N1 | C6 | 119.7° | 120.0° |
O2 | N1 | C6 | 118.0° | 120.0° |
N1 | C6 | C5 | 120.8° | 119.9° |
N1 | C6 | C7 | 117.5° | 119.9° |
C6 | C5 | C4 | 118.4° | 120.1° |
C5 | C6 | C7 | 121.6° | 120.2° |
C6 | C5 | H5 | 120.8° | 119.9° |
C5 | C4 | C3 | 120.9° | 120.0° |
C5 | C4 | H4 | 119.6° | 120.0° |
C4 | C5 | H5 | 120.8° | 119.9° |
C6 | C7 | C2 | 118.8° | 120.0° |
C6 | C7 | H6 | 120.6° | 120.0° |
C4 | C3 | C2 | 119.9° | 119.8° |
C4 | C3 | O4 | 123.7° | 120.1° |
C3 | C4 | H4 | 119.6° | 120.0° |
C7 | C2 | C3 | 120.3° | 119.9° |
C7 | C2 | O1 | 125.9° | 120.1° |
C2 | C7 | H6 | 120.6° | 120.0° |
C2 | C3 | O4 | 116.4° | 120.1° |
C3 | C2 | O1 | 113.8° | 120.0° |
C3 | O4 | H7 | 109.5° | 114.0° |
C1 | O1 | C2 | 118.5° | 117.0° |
O1 | C1 | H1 | 109.5° | 109.5° |
O1 | C1 | H2 | 109.5° | 109.5° |
O1 | C1 | H3 | 109.5° | 109.5° |
H1 | C1 | H2 | 109.4° | 109.4° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | N1 | O2 | C6 | 176.7° | 180.0° |
O3 | N1 | C6 | C5 | 1.9° | 0.0° |
O3 | N1 | C6 | C7 | 175.7° | 179.8° |
O2 | N1 | C6 | C5 | 178.7° | 180.0° |
O2 | N1 | C6 | C7 | 1.1° | 0.2° |
N1 | C6 | C5 | C7 | 177.5° | 179.8° |
N1 | C6 | C5 | C4 | 178.5° | 180.0° |
N1 | C6 | C7 | C2 | 178.6° | 179.7° |
N1 | C6 | C5 | H5 | 1.4° | 0.2° |
N1 | C6 | C7 | H6 | 1.4° | 0.2° |
C6 | C5 | C4 | H5 | 180.0° | 179.8° |
C6 | C5 | C4 | C3 | 1.7° | 0.0° |
C5 | C6 | C7 | C2 | 1.0° | 0.5° |
C6 | C5 | C4 | H4 | 178.3° | 180.0° |
C5 | C6 | C7 | H6 | 179.0° | 180.0° |
C4 | C5 | C6 | C7 | 1.0° | 0.2° |
C5 | C4 | C3 | H4 | 180.0° | 180.0° |
C5 | C4 | C3 | C2 | 2.4° | 0.0° |
C5 | C4 | C3 | O4 | 179.9° | 180.0° |
C6 | C7 | C2 | H6 | 180.0° | 179.5° |
C6 | C7 | C2 | C3 | 1.7° | 0.5° |
C6 | C7 | C2 | O1 | 177.7° | 179.8° |
C7 | C6 | C5 | H5 | 178.9° | 180.0° |
C4 | C3 | C2 | C7 | 2.3° | 0.2° |
C4 | C3 | C2 | O4 | 177.9° | 180.0° |
C4 | C3 | C2 | O1 | 177.1° | 180.0° |
C3 | C4 | C5 | H5 | 178.3° | 179.8° |
C4 | C3 | O4 | H7 | 180.0° | 90.0° |
C7 | C2 | C3 | O1 | 179.4° | 179.8° |
C7 | C2 | C3 | O4 | 179.8° | 179.8° |
C7 | C2 | O1 | C1 | 35.5° | 0.3° |
C3 | C2 | O1 | C1 | 143.9° | 180.0° |
C2 | C3 | C4 | H4 | 177.6° | 180.0° |
C3 | C2 | C7 | H6 | 178.3° | 180.0° |
C2 | C3 | O4 | H7 | 2.2° | 90.0° |
O4 | C3 | C2 | O1 | 0.8° | 0.0° |
O4 | C3 | C4 | H4 | 0.1° | 0.0° |
O1 | C1 | H1 | H2 | 120.0° | 120.0° |
O1 | C1 | H1 | H3 | 120.0° | 120.0° |
O1 | C1 | H2 | H3 | 120.0° | 120.0° |
C2 | O1 | C1 | H1 | 180.0° | 60.0° |
C2 | O1 | C1 | H2 | 60.0° | 180.0° |
C2 | O1 | C1 | H3 | 60.0° | 60.0° |
O1 | C2 | C7 | H6 | 2.3° | 0.3° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H4 | C4 | C5 | H5 | 1.7° | 0.3° |