4HP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | O1 | doub | 1.21Å | 1.25Å | |
C8 | O2 | sing | 1.34Å | 1.27Å | |
C8 | C7 | sing | 1.51Å | 1.54Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C7 | C1 | sing | 1.51Å | 1.53Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C4 | O4 | sing | 1.36Å | 1.39Å | |
C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C8 | O2 | 123.9° | 120.1° |
O1 | C8 | C7 | 120.7° | 119.9° |
O2 | C8 | C7 | 115.2° | 120.0° |
C8 | O2 | HO2 | 123.8° | 119.9° |
C8 | C7 | C1 | 111.8° | 109.5° |
C8 | C7 | H71 | 111.4° | 109.5° |
C8 | C7 | H72 | 111.4° | 109.4° |
C1 | C7 | H71 | 111.3° | 109.5° |
C1 | C7 | H72 | 111.3° | 109.4° |
C7 | C1 | C2 | 121.6° | 119.9° |
C7 | C1 | C6 | 118.8° | 119.9° |
H71 | C7 | H72 | 99.0° | 109.4° |
C2 | C1 | C6 | 119.5° | 120.1° |
C1 | C2 | C3 | 120.7° | 120.1° |
C1 | C2 | H2 | 120.1° | 120.0° |
C1 | C6 | C5 | 120.0° | 120.0° |
C1 | C6 | H6 | 119.8° | 120.0° |
C3 | C2 | H2 | 119.2° | 119.9° |
C2 | C3 | C4 | 119.1° | 119.9° |
C2 | C3 | H3 | 120.4° | 120.0° |
C4 | C3 | H3 | 120.5° | 120.1° |
C3 | C4 | C5 | 121.5° | 119.9° |
C3 | C4 | O4 | 121.4° | 120.0° |
C5 | C4 | O4 | 116.9° | 120.1° |
C4 | C5 | C6 | 118.9° | 120.0° |
C4 | C5 | H5 | 120.0° | 120.0° |
C4 | O4 | HO4 | 121.4° | 106.9° |
C6 | C5 | H5 | 121.0° | 120.0° |
C5 | C6 | H6 | 120.2° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C8 | O2 | C7 | 175.4° | 179.9° |
O1 | C8 | O2 | HO2 | 180.0° | 0.1° |
O1 | C8 | C7 | C1 | 79.5° | 0.1° |
O1 | C8 | C7 | H71 | 155.2° | 120.0° |
O1 | C8 | C7 | H72 | 45.8° | 120.0° |
O2 | C8 | C7 | C1 | 96.1° | 180.0° |
O2 | C8 | C7 | H71 | 29.2° | 59.9° |
O2 | C8 | C7 | H72 | 138.7° | 60.0° |
C7 | C8 | O2 | HO2 | 4.6° | 180.0° |
C8 | C7 | C1 | H71 | 125.3° | 120.1° |
C8 | C7 | C1 | H72 | 125.3° | 120.0° |
C8 | C7 | H71 | H72 | 117.2° | 119.9° |
C8 | C7 | C1 | C2 | 88.4° | 90.0° |
C8 | C7 | C1 | C6 | 89.7° | 90.2° |
C1 | C7 | H71 | H72 | 117.2° | 120.0° |
C7 | C1 | C2 | C6 | 178.1° | 179.8° |
C7 | C1 | C2 | C3 | 179.0° | 180.0° |
C7 | C1 | C2 | H2 | 1.0° | 0.0° |
C7 | C1 | C6 | C5 | 178.1° | 179.7° |
C7 | C1 | C6 | H6 | 1.9° | 0.1° |
H71 | C7 | C1 | C2 | 146.3° | 30.1° |
H71 | C7 | C1 | C6 | 35.6° | 149.7° |
H72 | C7 | C1 | C2 | 36.9° | 150.0° |
H72 | C7 | C1 | C6 | 145.0° | 29.8° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 2.2° | 0.0° |
C1 | C2 | C3 | H3 | 177.7° | 180.0° |
C2 | C1 | C6 | C5 | 0.0° | 0.5° |
C2 | C1 | C6 | H6 | 179.9° | 179.9° |
C6 | C1 | C2 | C3 | 2.9° | 0.2° |
C6 | C1 | C2 | H2 | 177.1° | 179.8° |
C1 | C6 | C5 | C4 | 3.6° | 0.5° |
C1 | C6 | C5 | H6 | 180.0° | 179.6° |
C1 | C6 | C5 | H5 | 176.4° | 179.8° |
C2 | C3 | C4 | H3 | 179.9° | 180.0° |
C2 | C3 | C4 | C5 | 1.5° | 0.0° |
C2 | C3 | C4 | O4 | 175.9° | 180.0° |
H2 | C2 | C3 | C4 | 177.8° | 180.0° |
H2 | C2 | C3 | H3 | 2.3° | 0.0° |
C3 | C4 | C5 | O4 | 174.7° | 180.0° |
C3 | C4 | C5 | C6 | 4.4° | 0.3° |
C3 | C4 | C5 | H5 | 175.7° | 180.0° |
C3 | C4 | O4 | HO4 | 180.0° | 90.0° |
H3 | C3 | C4 | C5 | 178.6° | 180.0° |
H3 | C3 | C4 | O4 | 4.1° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.7° |
C4 | C5 | C6 | H6 | 176.4° | 179.9° |
C5 | C4 | O4 | HO4 | 5.4° | 90.0° |
O4 | C4 | C5 | C6 | 179.1° | 179.7° |
O4 | C4 | C5 | H5 | 1.0° | 0.0° |
H5 | C5 | C6 | H6 | 3.6° | 0.2° |