HHH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | O12 | sing | 1.34Å | 1.26Å | |
O12 | HO12 | sing | 0.97Å | 0.95Å | |
O11 | C10 | doub | 1.21Å | 1.25Å | |
C10 | C7 | sing | 1.51Å | 1.51Å | |
C7 | O8 | sing | 1.43Å | 1.44Å | |
C7 | C1 | sing | 1.51Å | 1.50Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C5 | C4 | doub | 1.39Å | 1.44Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C4 | O1 | sing | 1.36Å | 1.37Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | O12 | HO12 | 109.5° | 116.9° |
O12 | C10 | O11 | 119.7° | 120.0° |
O12 | C10 | C7 | 123.7° | 119.9° |
O11 | C10 | C7 | 116.6° | 120.0° |
C10 | C7 | O8 | 103.8° | 109.5° |
C10 | C7 | C1 | 115.6° | 109.4° |
C10 | C7 | H7 | 110.0° | 109.5° |
O8 | C7 | C1 | 111.4° | 109.5° |
O8 | C7 | H7 | 114.2° | 109.5° |
C7 | O8 | HO8 | 109.5° | 114.0° |
C1 | C7 | H7 | 102.1° | 109.5° |
C7 | C1 | C6 | 119.0° | 119.9° |
C7 | C1 | C2 | 120.3° | 120.0° |
C6 | C1 | C2 | 120.6° | 120.1° |
C1 | C6 | C5 | 120.0° | 120.0° |
C1 | C6 | H6 | 120.0° | 120.0° |
C1 | C2 | C3 | 120.3° | 120.1° |
C1 | C2 | H2 | 119.9° | 120.0° |
C3 | C2 | H2 | 119.8° | 120.0° |
C2 | C3 | C4 | 119.2° | 120.0° |
C2 | C3 | H3 | 120.4° | 120.0° |
C4 | C3 | H3 | 120.4° | 120.0° |
C3 | C4 | C5 | 120.9° | 119.9° |
C3 | C4 | O1 | 116.6° | 120.1° |
C5 | C6 | H6 | 120.0° | 120.0° |
C6 | C5 | C4 | 119.0° | 120.0° |
C6 | C5 | H5 | 120.5° | 120.0° |
C4 | C5 | H5 | 120.5° | 120.0° |
C5 | C4 | O1 | 122.6° | 120.1° |
C4 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | C10 | O11 | C7 | 179.3° | 180.0° |
O12 | C10 | C7 | O8 | 154.1° | 175.0° |
O12 | C10 | C7 | C1 | 31.7° | 65.0° |
O12 | C10 | C7 | H7 | 83.2° | 55.0° |
HO12 | O12 | C10 | O11 | 0.0° | 0.0° |
HO12 | O12 | C10 | C7 | 179.3° | 180.0° |
O11 | C10 | C7 | O8 | 26.6° | 5.0° |
O11 | C10 | C7 | C1 | 149.0° | 115.0° |
O11 | C10 | C7 | H7 | 96.1° | 125.0° |
C10 | C7 | O8 | C1 | 125.1° | 120.0° |
C10 | C7 | O8 | H7 | 119.8° | 120.0° |
C10 | C7 | C1 | H7 | 119.4° | 120.0° |
C10 | C7 | O8 | HO8 | 98.6° | 59.9° |
C10 | C7 | C1 | C6 | 147.6° | 80.2° |
C10 | C7 | C1 | C2 | 34.8° | 100.0° |
O8 | C7 | C1 | H7 | 122.4° | 120.0° |
O8 | C7 | C1 | C6 | 94.2° | 39.7° |
O8 | C7 | C1 | C2 | 83.4° | 140.0° |
C1 | C7 | O8 | HO8 | 26.5° | 60.1° |
C7 | C1 | C6 | C2 | 177.6° | 179.7° |
C7 | C1 | C2 | C3 | 179.5° | 180.0° |
C7 | C1 | C2 | H2 | 0.5° | 0.0° |
C7 | C1 | C6 | C5 | 179.9° | 179.9° |
C7 | C1 | C6 | H6 | 0.1° | 0.0° |
H7 | C7 | O8 | HO8 | 141.6° | 180.0° |
H7 | C7 | C1 | C6 | 28.2° | 159.7° |
H7 | C7 | C1 | C2 | 154.2° | 20.0° |
C6 | C1 | C2 | C3 | 1.9° | 0.3° |
C6 | C1 | C2 | H2 | 178.1° | 179.7° |
C1 | C6 | C5 | H6 | 180.0° | 179.9° |
C1 | C6 | C5 | C4 | 1.7° | 0.1° |
C1 | C6 | C5 | H5 | 178.3° | 179.9° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.5° | 0.0° |
C1 | C2 | C3 | H3 | 179.4° | 180.0° |
C2 | C1 | C6 | C5 | 2.5° | 0.2° |
C2 | C1 | C6 | H6 | 177.5° | 179.7° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.3° | 0.3° |
C2 | C3 | C4 | O1 | 179.9° | 180.0° |
H2 | C2 | C3 | C4 | 179.5° | 180.0° |
H2 | C2 | C3 | H3 | 0.6° | 0.0° |
C3 | C4 | C5 | C6 | 0.3° | 0.3° |
C3 | C4 | C5 | O1 | 179.8° | 179.7° |
C3 | C4 | C5 | H5 | 179.7° | 179.7° |
C3 | C4 | O1 | HO1 | 124.7° | 90.3° |
H3 | C3 | C4 | C5 | 179.8° | 179.7° |
H3 | C3 | C4 | O1 | 0.1° | 0.0° |
C6 | C5 | C4 | H5 | 180.0° | 180.0° |
C6 | C5 | C4 | O1 | 179.5° | 180.0° |
H6 | C6 | C5 | C4 | 178.3° | 180.0° |
H6 | C6 | C5 | H5 | 1.7° | 0.0° |
C5 | C4 | O1 | HO1 | 55.5° | 90.0° |
H5 | C5 | C4 | O1 | 0.5° | 0.0° |