AVH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C6 | sing | 1.43Å | 1.39Å | |
C1 | C2 | sing | 1.53Å | 1.50Å | |
C1 | C6 | sing | 1.53Å | 1.50Å | |
C2 | C3 | sing | 1.53Å | 1.50Å | |
C6 | C5 | sing | 1.53Å | 1.64Å | |
C3 | C4 | sing | 1.53Å | 1.49Å | |
C5 | C4 | sing | 1.53Å | 1.50Å | |
C4 | C7 | sing | 1.51Å | 1.49Å | |
C7 | C8 | doub | 1.31Å | 1.36Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.08Å | 1.08Å | |
C8 | H12 | sing | 1.08Å | 1.08Å | |
C8 | H13 | sing | 1.08Å | 1.08Å | |
O2 | H14 | sing | 0.97Å | 0.95Å | |
C1 | O1 | sing | 1.43Å | 1.40Å | |
O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C6 | C1 | 110.2° | 109.5° |
O2 | C6 | C5 | 111.8° | 109.5° |
O2 | C6 | H10 | 110.3° | 109.4° |
C6 | O2 | H14 | 109.5° | 114.0° |
C2 | C1 | C6 | 114.8° | 109.4° |
C1 | C2 | C3 | 113.9° | 109.5° |
C2 | C1 | H1 | 106.9° | 109.5° |
C1 | C2 | H3 | 108.3° | 109.5° |
C1 | C2 | H4 | 108.3° | 109.5° |
C2 | C1 | O1 | 111.6° | 109.5° |
C1 | C6 | C5 | 108.6° | 109.5° |
C6 | C1 | H1 | 106.9° | 109.5° |
C1 | C6 | H10 | 108.7° | 109.5° |
C6 | C1 | O1 | 108.2° | 109.5° |
C2 | C3 | C4 | 112.0° | 109.4° |
C3 | C2 | H3 | 108.4° | 109.5° |
C3 | C2 | H4 | 108.4° | 109.4° |
C2 | C3 | H5 | 108.8° | 109.5° |
C2 | C3 | H6 | 108.8° | 109.5° |
C6 | C5 | C4 | 113.0° | 109.5° |
C6 | C5 | H8 | 108.6° | 109.5° |
C6 | C5 | H9 | 108.6° | 109.4° |
C5 | C6 | H10 | 107.1° | 109.5° |
C3 | C4 | C5 | 112.7° | 109.5° |
C3 | C4 | C7 | 108.5° | 109.5° |
C4 | C3 | H5 | 108.8° | 109.5° |
C4 | C3 | H6 | 108.8° | 109.5° |
C3 | C4 | H7 | 109.0° | 109.5° |
C5 | C4 | C7 | 108.6° | 109.5° |
C5 | C4 | H7 | 108.9° | 109.4° |
C4 | C5 | H8 | 108.6° | 109.5° |
C4 | C5 | H9 | 108.6° | 109.5° |
C4 | C7 | C8 | 118.5° | 120.0° |
C7 | C4 | H7 | 109.0° | 109.5° |
C4 | C7 | H11 | 120.7° | 120.0° |
C8 | C7 | H11 | 120.7° | 120.0° |
C7 | C8 | H12 | 120.0° | 120.0° |
C7 | C8 | H13 | 120.0° | 120.0° |
H1 | C1 | O1 | 108.2° | 109.5° |
H3 | C2 | H4 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.5° |
H8 | C5 | H9 | 109.5° | 109.5° |
H12 | C8 | H13 | 120.0° | 120.0° |
C1 | O1 | H2 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C6 | C1 | C2 | 66.2° | 180.0° |
O2 | C6 | C1 | C5 | 122.7° | 120.0° |
O2 | C6 | C1 | H10 | 121.0° | 119.9° |
O2 | C6 | C5 | H10 | 120.9° | 119.9° |
O2 | C6 | C5 | C4 | 94.7° | 180.0° |
O2 | C6 | C1 | H1 | 52.1° | 60.0° |
O2 | C6 | C5 | H8 | 25.8° | 59.9° |
O2 | C6 | C5 | H9 | 144.8° | 60.0° |
O2 | C6 | C1 | O1 | 168.4° | 60.0° |
C2 | C1 | C6 | H1 | 118.3° | 120.0° |
C2 | C1 | C6 | O1 | 125.4° | 120.0° |
C1 | C2 | C3 | H3 | 120.6° | 120.0° |
C1 | C2 | C3 | H4 | 120.6° | 119.9° |
C2 | C1 | C6 | C5 | 56.6° | 60.0° |
C1 | C2 | C3 | C4 | 33.4° | 60.0° |
C2 | C1 | H1 | O1 | 120.3° | 120.0° |
C1 | C2 | H3 | H4 | 118.0° | 120.0° |
C1 | C2 | C3 | H5 | 153.8° | 180.0° |
C1 | C2 | C3 | H6 | 86.9° | 60.0° |
C2 | C1 | C6 | H10 | 172.8° | 60.0° |
C2 | C1 | O1 | H2 | 180.0° | 60.0° |
C6 | C1 | C2 | C3 | 26.9° | 60.1° |
C1 | C6 | C5 | H10 | 117.3° | 120.1° |
C1 | C6 | C5 | C4 | 27.1° | 60.0° |
C6 | C1 | H1 | O1 | 116.3° | 120.0° |
C6 | C1 | C2 | H3 | 147.5° | 60.0° |
C6 | C1 | C2 | H4 | 93.8° | 180.0° |
C1 | C6 | C5 | H8 | 147.6° | 180.0° |
C1 | C6 | C5 | H9 | 93.4° | 60.0° |
C1 | C6 | O2 | H14 | 180.0° | 59.9° |
C6 | C1 | O1 | H2 | 52.8° | 180.0° |
C2 | C3 | C4 | H5 | 120.4° | 120.0° |
C2 | C3 | C4 | H6 | 120.4° | 120.0° |
C2 | C3 | C4 | C5 | 62.8° | 60.0° |
C2 | C3 | C4 | C7 | 176.8° | 180.0° |
C3 | C2 | C1 | H1 | 145.2° | 59.9° |
C3 | C2 | H3 | H4 | 118.0° | 120.0° |
C2 | C3 | H5 | H6 | 118.8° | 120.0° |
C2 | C3 | C4 | H7 | 58.2° | 60.0° |
C3 | C2 | C1 | O1 | 96.7° | 180.0° |
C6 | C5 | C4 | C3 | 29.7° | 60.0° |
C6 | C5 | C4 | H8 | 120.5° | 120.0° |
C6 | C5 | C4 | H9 | 120.5° | 120.0° |
C6 | C5 | C4 | C7 | 149.9° | 180.0° |
C5 | C6 | C1 | H1 | 174.9° | 60.0° |
C6 | C5 | C4 | H7 | 91.5° | 60.0° |
C6 | C5 | H8 | H9 | 118.4° | 120.0° |
C5 | C6 | O2 | H14 | 59.1° | 180.0° |
C5 | C6 | C1 | O1 | 68.8° | 180.0° |
C3 | C4 | C5 | C7 | 120.3° | 120.0° |
C3 | C4 | C5 | H7 | 121.1° | 120.0° |
C3 | C4 | C7 | H7 | 118.6° | 120.0° |
C3 | C4 | C7 | C8 | 50.1° | 120.0° |
C4 | C3 | C2 | H3 | 87.2° | 60.0° |
C4 | C3 | C2 | H4 | 154.1° | 180.0° |
C4 | C3 | H5 | H6 | 118.8° | 120.0° |
C3 | C4 | C5 | H8 | 90.8° | 180.0° |
C3 | C4 | C5 | H9 | 150.2° | 60.0° |
C3 | C4 | C7 | H11 | 129.9° | 60.0° |
C5 | C4 | C7 | H7 | 118.5° | 120.0° |
C5 | C4 | C7 | C8 | 173.0° | 120.0° |
C5 | C4 | C3 | H5 | 176.8° | 180.0° |
C5 | C4 | C3 | H6 | 57.6° | 60.0° |
C4 | C5 | H8 | H9 | 118.4° | 120.0° |
C4 | C5 | C6 | H10 | 144.4° | 60.1° |
C5 | C4 | C7 | H11 | 7.0° | 60.0° |
C4 | C7 | C8 | H11 | 180.0° | 180.0° |
C7 | C4 | C3 | H5 | 56.5° | 60.0° |
C7 | C4 | C3 | H6 | 62.8° | 60.0° |
C7 | C4 | C5 | H8 | 29.4° | 60.0° |
C7 | C4 | C5 | H9 | 89.5° | 60.0° |
C4 | C7 | C8 | H12 | 180.0° | 0.1° |
C4 | C7 | C8 | H13 | 0.0° | 180.0° |
C8 | C7 | C4 | H7 | 68.5° | 0.0° |
C7 | C8 | H12 | H13 | 180.0° | 179.9° |
H1 | C1 | C2 | H3 | 94.2° | 180.0° |
H1 | C1 | C2 | H4 | 24.5° | 60.0° |
H1 | C1 | C6 | H10 | 68.9° | 180.0° |
H1 | C1 | O1 | H2 | 62.7° | 60.0° |
H3 | C2 | C3 | H5 | 33.2° | 60.0° |
H3 | C2 | C3 | H6 | 152.4° | 180.0° |
H3 | C2 | C1 | O1 | 23.9° | 60.0° |
H4 | C2 | C3 | H5 | 85.5° | 60.0° |
H4 | C2 | C3 | H6 | 33.7° | 60.0° |
H4 | C2 | C1 | O1 | 142.6° | 60.0° |
H5 | C3 | C4 | H7 | 62.1° | 60.0° |
H6 | C3 | C4 | H7 | 178.6° | 179.9° |
H7 | C4 | C5 | H8 | 148.0° | 60.0° |
H7 | C4 | C5 | H9 | 29.1° | 180.0° |
H7 | C4 | C7 | H11 | 111.5° | 180.0° |
H8 | C5 | C6 | H10 | 95.1° | 60.0° |
H9 | C5 | C6 | H10 | 23.8° | 179.9° |
H10 | C6 | O2 | H14 | 60.0° | 60.1° |
H10 | C6 | C1 | O1 | 47.4° | 60.0° |
H11 | C7 | C8 | H12 | 0.0° | 179.9° |
H11 | C7 | C8 | H13 | 180.0° | 0.0° |