2A9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O7 | C11 | sing | 1.43Å | 1.42Å | |
C11 | C6 | sing | 1.51Å | 1.40Å | |
C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | O8 | sing | 1.36Å | 1.25Å | |
C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | O6 | sing | 1.36Å | 1.33Å | |
C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
O6 | C10 | sing | 1.43Å | 1.42Å | |
O7 | H7 | sing | 0.97Å | 0.95Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
O8 | H8 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H103 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O7 | C11 | C6 | 120.0° | 109.5° |
C11 | O7 | H7 | 109.5° | 114.0° |
O7 | C11 | H111 | 106.1° | 109.5° |
O7 | C11 | H112 | 106.1° | 109.5° |
C11 | C6 | C1 | 120.1° | 119.9° |
C11 | C6 | C5 | 119.9° | 119.9° |
C6 | C11 | H111 | 106.1° | 109.4° |
C6 | C11 | H112 | 106.1° | 109.5° |
C1 | C6 | C5 | 120.0° | 120.1° |
C6 | C1 | C2 | 120.0° | 120.0° |
C6 | C1 | H1 | 120.0° | 120.0° |
C6 | C5 | C4 | 120.0° | 120.1° |
C6 | C5 | H5 | 120.0° | 119.9° |
C1 | C2 | C3 | 120.0° | 119.9° |
C1 | C2 | O8 | 120.0° | 120.1° |
C2 | C1 | H1 | 120.0° | 120.0° |
C3 | C2 | O8 | 120.0° | 120.1° |
C2 | C3 | C4 | 120.0° | 119.9° |
C2 | C3 | O6 | 120.0° | 120.1° |
C2 | O8 | H8 | 109.5° | 114.0° |
C4 | C3 | O6 | 120.0° | 120.1° |
C3 | C4 | C5 | 120.0° | 120.0° |
C3 | C4 | H4 | 120.0° | 120.0° |
C3 | O6 | C10 | 120.0° | 117.0° |
C4 | C5 | H5 | 120.0° | 120.0° |
C5 | C4 | H4 | 120.0° | 120.0° |
O6 | C10 | H101 | 109.5° | 109.5° |
O6 | C10 | H102 | 109.5° | 109.5° |
O6 | C10 | H103 | 109.4° | 109.5° |
H111 | C11 | H112 | 112.6° | 109.5° |
H101 | C10 | H102 | 109.4° | 109.4° |
H101 | C10 | H103 | 109.4° | 109.4° |
H102 | C10 | H103 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O7 | C11 | C6 | H111 | 120.0° | 120.0° |
O7 | C11 | C6 | H112 | 120.0° | 120.0° |
O7 | C11 | C6 | C1 | 25.6° | 90.0° |
O7 | C11 | C6 | C5 | 154.4° | 90.3° |
O7 | C11 | H111 | H112 | 115.7° | 120.0° |
C11 | C6 | C1 | C5 | 180.0° | 179.7° |
C11 | C6 | C1 | C2 | 180.0° | 180.0° |
C11 | C6 | C5 | C4 | 180.0° | 179.7° |
C6 | C11 | O7 | H7 | 180.0° | 180.0° |
C6 | C11 | H111 | H112 | 115.7° | 120.0° |
C11 | C6 | C1 | H1 | 0.0° | 0.1° |
C11 | C6 | C5 | H5 | 0.0° | 0.0° |
C6 | C1 | C2 | H1 | 180.0° | 179.9° |
C6 | C1 | C2 | C3 | 0.0° | 0.1° |
C6 | C1 | C2 | O8 | 180.0° | 180.0° |
C1 | C6 | C5 | C4 | 0.1° | 0.5° |
C1 | C6 | C11 | H111 | 145.7° | 30.0° |
C1 | C6 | C11 | H112 | 94.4° | 150.0° |
C1 | C6 | C5 | H5 | 179.9° | 179.7° |
C5 | C6 | C1 | C2 | 0.0° | 0.3° |
C6 | C5 | C4 | C3 | 0.1° | 0.5° |
C6 | C5 | C4 | H5 | 180.0° | 179.8° |
C5 | C6 | C11 | H111 | 34.4° | 149.7° |
C5 | C6 | C11 | H112 | 85.6° | 29.7° |
C5 | C6 | C1 | H1 | 180.0° | 179.8° |
C6 | C5 | C4 | H4 | 179.9° | 179.7° |
C1 | C2 | C3 | O8 | 179.9° | 180.0° |
C1 | C2 | C3 | C4 | 0.1° | 0.1° |
C1 | C2 | C3 | O6 | 179.9° | 180.0° |
C1 | C2 | O8 | H8 | 180.0° | 90.0° |
C2 | C3 | C4 | O6 | 179.9° | 179.9° |
C2 | C3 | C4 | C5 | 0.1° | 0.3° |
C2 | C3 | O6 | C10 | 157.2° | 179.9° |
C3 | C2 | C1 | H1 | 180.0° | 180.0° |
C3 | C2 | O8 | H8 | 0.0° | 90.0° |
C2 | C3 | C4 | H4 | 179.9° | 179.9° |
O8 | C2 | C3 | C4 | 180.0° | 180.0° |
O8 | C2 | C3 | O6 | 0.1° | 0.0° |
O8 | C2 | C1 | H1 | 0.0° | 0.1° |
C3 | C4 | C5 | H4 | 180.0° | 179.8° |
C4 | C3 | O6 | C10 | 22.7° | 0.0° |
C3 | C4 | C5 | H5 | 179.9° | 179.7° |
O6 | C3 | C4 | C5 | 180.0° | 179.8° |
O6 | C3 | C4 | H4 | 0.0° | 0.0° |
C3 | O6 | C10 | H101 | 180.0° | 60.0° |
C3 | O6 | C10 | H102 | 60.0° | 60.0° |
C3 | O6 | C10 | H103 | 60.0° | 180.0° |
O6 | C10 | H101 | H102 | 120.0° | 120.1° |
O6 | C10 | H101 | H103 | 120.0° | 120.0° |
O6 | C10 | H102 | H103 | 120.0° | 120.0° |
H7 | O7 | C11 | H111 | 60.0° | 60.0° |
H7 | O7 | C11 | H112 | 60.0° | 60.1° |
H5 | C5 | C4 | H4 | 0.1° | 0.1° |
H101 | C10 | H102 | H103 | 120.0° | 119.9° |