OY7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C5 | doub | 1.21Å | 1.23Å | |
C6 | C5 | sing | 1.51Å | 1.49Å | |
C5 | C4 | sing | 1.48Å | 1.49Å | |
C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
C4 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
C8 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
C1 | B1 | sing | 1.57Å | 1.58Å | |
O1 | B1 | sing | 1.42Å | 1.36Å | |
B1 | O2 | sing | 1.42Å | 1.37Å | |
C6 | H1 | sing | 1.09Å | 1.10Å | |
C6 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C8 | H5 | sing | 1.08Å | 1.08Å | |
O1 | H6 | sing | 0.97Å | 0.95Å | |
O2 | H7 | sing | 0.97Å | 0.95Å | |
C2 | H8 | sing | 1.08Å | 1.08Å | |
C3 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C5 | C6 | 118.9° | 120.0° |
O3 | C5 | C4 | 120.3° | 120.0° |
C6 | C5 | C4 | 120.5° | 120.0° |
C5 | C6 | H1 | 109.5° | 109.5° |
C5 | C6 | H2 | 109.5° | 109.5° |
C5 | C6 | H3 | 109.5° | 109.5° |
C5 | C4 | C3 | 120.6° | 120.0° |
C5 | C4 | C7 | 121.4° | 120.1° |
C3 | C4 | C7 | 117.9° | 119.9° |
C4 | C3 | C2 | 121.0° | 119.9° |
C4 | C3 | H9 | 119.5° | 120.1° |
C4 | C7 | C8 | 121.0° | 119.9° |
C4 | C7 | H4 | 119.5° | 120.0° |
C3 | C2 | C1 | 122.0° | 120.1° |
C3 | C2 | H8 | 119.0° | 120.0° |
C2 | C3 | H9 | 119.5° | 120.0° |
C7 | C8 | C1 | 122.1° | 120.1° |
C8 | C7 | H4 | 119.5° | 120.1° |
C7 | C8 | H5 | 118.9° | 120.0° |
C2 | C1 | C8 | 115.8° | 120.1° |
C2 | C1 | B1 | 122.5° | 120.0° |
C1 | C2 | H8 | 119.0° | 119.9° |
C8 | C1 | B1 | 121.5° | 119.9° |
C1 | C8 | H5 | 118.9° | 120.0° |
C1 | B1 | O1 | 123.9° | 120.0° |
C1 | B1 | O2 | 118.5° | 120.0° |
O1 | B1 | O2 | 117.2° | 120.0° |
B1 | O1 | H6 | 109.5° | 114.0° |
B1 | O2 | H7 | 109.5° | 114.0° |
H1 | C6 | H2 | 109.5° | 109.4° |
H1 | C6 | H3 | 109.5° | 109.5° |
H2 | C6 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C5 | C6 | C4 | 173.3° | 180.0° |
O3 | C5 | C4 | C3 | 3.6° | 0.0° |
O3 | C5 | C4 | C7 | 179.8° | 179.7° |
O3 | C5 | C6 | H1 | 0.0° | 120.0° |
O3 | C5 | C6 | H2 | 120.0° | 0.1° |
O3 | C5 | C6 | H3 | 120.0° | 120.0° |
C6 | C5 | C4 | C3 | 169.6° | 180.0° |
C6 | C5 | C4 | C7 | 7.0° | 0.3° |
C5 | C6 | H1 | H2 | 120.0° | 120.0° |
C5 | C6 | H1 | H3 | 120.0° | 120.0° |
C5 | C6 | H2 | H3 | 120.0° | 120.0° |
C5 | C4 | C3 | C7 | 176.7° | 179.7° |
C5 | C4 | C3 | C2 | 177.0° | 179.7° |
C5 | C4 | C7 | C8 | 177.5° | 179.7° |
C4 | C5 | C6 | H1 | 173.3° | 60.0° |
C4 | C5 | C6 | H2 | 53.3° | 179.9° |
C4 | C5 | C6 | H3 | 66.7° | 60.0° |
C5 | C4 | C7 | H4 | 2.5° | 0.4° |
C5 | C4 | C3 | H9 | 3.0° | 0.2° |
C4 | C3 | C2 | H9 | 180.0° | 179.9° |
C3 | C4 | C7 | C8 | 0.8° | 0.0° |
C4 | C3 | C2 | C1 | 0.6° | 0.0° |
C3 | C4 | C7 | H4 | 179.2° | 179.9° |
C4 | C3 | C2 | H8 | 179.4° | 179.9° |
C7 | C4 | C3 | C2 | 0.3° | 0.0° |
C4 | C7 | C8 | H4 | 180.0° | 179.9° |
C4 | C7 | C8 | C1 | 0.4° | 0.0° |
C4 | C7 | C8 | H5 | 179.6° | 180.0° |
C7 | C4 | C3 | H9 | 179.7° | 179.9° |
C3 | C2 | C1 | H8 | 180.0° | 180.0° |
C3 | C2 | C1 | C8 | 1.0° | 0.0° |
C3 | C2 | C1 | B1 | 175.5° | 180.0° |
C7 | C8 | C1 | C2 | 0.5° | 0.0° |
C7 | C8 | C1 | H5 | 180.0° | 180.0° |
C7 | C8 | C1 | B1 | 175.0° | 180.0° |
C2 | C1 | C8 | B1 | 174.6° | 180.0° |
C2 | C1 | B1 | O1 | 34.1° | 180.0° |
C2 | C1 | B1 | O2 | 138.5° | 0.0° |
C2 | C1 | C8 | H5 | 179.5° | 180.0° |
C1 | C2 | C3 | H9 | 179.4° | 180.0° |
C8 | C1 | B1 | O1 | 151.7° | 0.0° |
C8 | C1 | B1 | O2 | 35.7° | 180.0° |
C1 | C8 | C7 | H4 | 179.6° | 179.9° |
C8 | C1 | C2 | H8 | 179.0° | 179.9° |
C1 | B1 | O1 | O2 | 172.7° | 180.0° |
B1 | C1 | C8 | H5 | 5.0° | 0.0° |
C1 | B1 | O1 | H6 | 180.0° | 180.0° |
C1 | B1 | O2 | H7 | 180.0° | 0.0° |
B1 | C1 | C2 | H8 | 4.5° | 0.0° |
O1 | B1 | O2 | H7 | 6.9° | 180.0° |
O2 | B1 | O1 | H6 | 7.3° | 0.0° |
H1 | C6 | H2 | H3 | 120.0° | 120.0° |
H4 | C7 | C8 | H5 | 0.4° | 0.1° |
H8 | C2 | C3 | H9 | 0.6° | 0.0° |