FG7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | sing | 1.40Å | 1.35Å | |
C1 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C1 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.48Å | 1.49Å | |
C4 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
C5 | O6 | sing | 1.35Å | 1.45Å | |
C5 | O12 | doub | 1.21Å | 1.22Å | |
O6 | C7 | sing | 1.45Å | 1.43Å | |
C7 | C8 | sing | 1.53Å | 1.51Å | |
C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N2 | HN2A | sing | 0.97Å | 1.00Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C8 | H8B | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C1 | C3 | 119.4° | 120.0° |
N2 | C1 | C11 | 120.5° | 120.0° |
C1 | N2 | HN2 | 109.5° | 120.0° |
C1 | N2 | HN2A | 109.5° | 120.0° |
C3 | C1 | C11 | 120.2° | 120.1° |
C1 | C3 | C4 | 119.5° | 119.7° |
C1 | C3 | H3 | 120.3° | 120.2° |
C1 | C11 | C10 | 120.3° | 120.2° |
C1 | C11 | H11 | 119.9° | 120.0° |
C3 | C4 | C5 | 119.5° | 120.1° |
C3 | C4 | C9 | 120.7° | 119.8° |
C4 | C3 | H3 | 120.2° | 120.1° |
C5 | C4 | C9 | 119.8° | 120.1° |
C4 | C5 | O6 | 119.5° | 120.0° |
C4 | C5 | O12 | 121.2° | 120.0° |
C4 | C9 | C10 | 119.7° | 120.0° |
C4 | C9 | H9 | 120.1° | 120.0° |
O6 | C5 | O12 | 119.3° | 120.0° |
C5 | O6 | C7 | 118.8° | 117.0° |
O6 | C7 | C8 | 108.9° | 109.5° |
O6 | C7 | H7 | 109.7° | 109.5° |
O6 | C7 | H7A | 109.7° | 109.5° |
C8 | C7 | H7 | 109.7° | 109.4° |
C8 | C7 | H7A | 109.7° | 109.5° |
C7 | C8 | H8 | 109.5° | 109.5° |
C7 | C8 | H8A | 109.5° | 109.4° |
C7 | C8 | H8B | 109.5° | 109.5° |
C9 | C10 | C11 | 119.6° | 120.2° |
C10 | C9 | H9 | 120.1° | 119.9° |
C9 | C10 | H10 | 120.2° | 119.9° |
C11 | C10 | H10 | 120.2° | 119.9° |
C10 | C11 | H11 | 119.9° | 119.9° |
HN2 | N2 | HN2A | 109.5° | 120.0° |
H7 | C7 | H7A | 109.3° | 109.4° |
H8 | C8 | H8A | 109.5° | 109.4° |
H8 | C8 | H8B | 109.4° | 109.5° |
H8A | C8 | H8B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | C3 | C11 | 179.8° | 179.8° |
N2 | C1 | C3 | C4 | 179.8° | 180.0° |
N2 | C1 | C11 | C10 | 180.0° | 179.7° |
C1 | N2 | HN2 | HN2A | 120.0° | 180.0° |
N2 | C1 | C3 | H3 | 0.2° | 0.0° |
N2 | C1 | C11 | H11 | 0.0° | 0.1° |
C1 | C3 | C4 | H3 | 180.0° | 180.0° |
C1 | C3 | C4 | C5 | 180.0° | 180.0° |
C1 | C3 | C4 | C9 | 0.0° | 0.0° |
C3 | C1 | C11 | C10 | 0.2° | 0.5° |
C3 | C1 | N2 | HN2 | 180.0° | 0.0° |
C3 | C1 | N2 | HN2A | 60.0° | 180.0° |
C3 | C1 | C11 | H11 | 179.8° | 179.7° |
C11 | C1 | C3 | C4 | 0.1° | 0.2° |
C1 | C11 | C10 | C9 | 0.3° | 0.6° |
C1 | C11 | C10 | H11 | 180.0° | 179.8° |
C11 | C1 | N2 | HN2 | 0.3° | 179.8° |
C11 | C1 | N2 | HN2A | 120.2° | 0.2° |
C11 | C1 | C3 | H3 | 179.9° | 179.8° |
C1 | C11 | C10 | H10 | 179.8° | 179.8° |
C3 | C4 | C5 | C9 | 180.0° | 180.0° |
C3 | C4 | C5 | O6 | 173.4° | 180.0° |
C3 | C4 | C5 | O12 | 5.5° | 0.0° |
C3 | C4 | C9 | C10 | 0.1° | 0.0° |
C3 | C4 | C9 | H9 | 179.9° | 179.9° |
C4 | C5 | O6 | O12 | 178.9° | 180.0° |
C4 | C5 | O6 | C7 | 167.2° | 180.0° |
C5 | C4 | C9 | C10 | 180.0° | 180.0° |
C5 | C4 | C3 | H3 | 0.0° | 0.0° |
C5 | C4 | C9 | H9 | 0.0° | 0.1° |
C9 | C4 | C5 | O6 | 6.6° | 0.0° |
C9 | C4 | C5 | O12 | 174.6° | 179.9° |
C4 | C9 | C10 | H9 | 180.0° | 179.9° |
C4 | C9 | C10 | C11 | 0.2° | 0.3° |
C9 | C4 | C3 | H3 | 180.0° | 180.0° |
C4 | C9 | C10 | H10 | 179.8° | 180.0° |
C5 | O6 | C7 | C8 | 165.9° | 180.0° |
C5 | O6 | C7 | H7 | 45.9° | 60.0° |
C5 | O6 | C7 | H7A | 74.1° | 60.0° |
O12 | C5 | O6 | C7 | 13.9° | 0.0° |
O6 | C7 | C8 | H7 | 120.0° | 120.0° |
O6 | C7 | C8 | H7A | 120.0° | 120.1° |
O6 | C7 | H7 | H7A | 120.3° | 120.0° |
O6 | C7 | C8 | H8 | 180.0° | 180.0° |
O6 | C7 | C8 | H8A | 60.0° | 60.0° |
O6 | C7 | C8 | H8B | 60.0° | 60.0° |
C8 | C7 | H7 | H7A | 120.2° | 120.0° |
C7 | C8 | H8 | H8A | 120.0° | 120.0° |
C7 | C8 | H8 | H8B | 120.0° | 120.1° |
C7 | C8 | H8A | H8B | 120.0° | 120.0° |
C9 | C10 | C11 | H10 | 180.0° | 179.7° |
C9 | C10 | C11 | H11 | 179.8° | 179.6° |
C11 | C10 | C9 | H9 | 179.8° | 179.8° |
H7 | C7 | C8 | H8 | 60.0° | 60.0° |
H7 | C7 | C8 | H8A | 180.0° | 180.0° |
H7 | C7 | C8 | H8B | 60.0° | 60.0° |
H7A | C7 | C8 | H8 | 60.0° | 59.9° |
H7A | C7 | C8 | H8A | 60.0° | 60.0° |
H7A | C7 | C8 | H8B | 180.0° | 180.0° |
H8 | C8 | H8A | H8B | 120.0° | 120.0° |
H9 | C9 | C10 | H10 | 0.2° | 0.1° |
H10 | C10 | C11 | H11 | 0.2° | 0.0° |