0L1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.21Å | 1.25Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C2 | O1 | sing | 1.34Å | 1.26Å | |
C3 | C4 | sing | 1.53Å | 1.50Å | |
C4 | C5 | sing | 1.53Å | 1.46Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C6 | C7 | sing | 1.51Å | 1.53Å | |
C7 | O4 | doub | 1.21Å | 1.26Å | |
C7 | O3 | sing | 1.34Å | 1.25Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
O3 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | C3 | 114.1° | 120.0° |
O2 | C2 | O1 | 127.5° | 120.0° |
C3 | C2 | O1 | 117.9° | 120.0° |
C2 | C3 | C4 | 119.7° | 109.4° |
C2 | C3 | H2 | 106.9° | 109.5° |
C2 | C3 | H3 | 106.9° | 109.5° |
C2 | O1 | H1 | 109.5° | 117.0° |
C3 | C4 | C5 | 112.3° | 109.4° |
C4 | C3 | H2 | 106.9° | 109.5° |
C4 | C3 | H3 | 106.9° | 109.5° |
C3 | C4 | H4 | 108.8° | 109.5° |
C3 | C4 | H5 | 108.8° | 109.5° |
C4 | C5 | C6 | 125.5° | 109.4° |
C5 | C4 | H4 | 108.8° | 109.5° |
C5 | C4 | H5 | 108.8° | 109.5° |
C4 | C5 | H6 | 105.3° | 109.5° |
C4 | C5 | H7 | 105.3° | 109.5° |
C5 | C6 | C7 | 121.3° | 109.4° |
C6 | C5 | H6 | 105.4° | 109.5° |
C6 | C5 | H7 | 105.3° | 109.5° |
C5 | C6 | H8 | 106.5° | 109.5° |
C5 | C6 | H9 | 106.4° | 109.5° |
C6 | C7 | O4 | 117.2° | 120.0° |
C6 | C7 | O3 | 114.2° | 120.0° |
C7 | C6 | H8 | 106.4° | 109.5° |
C7 | C6 | H9 | 106.5° | 109.5° |
O4 | C7 | O3 | 127.1° | 120.0° |
C7 | O3 | H10 | 109.5° | 117.0° |
H2 | C3 | H3 | 109.4° | 109.5° |
H4 | C4 | H5 | 109.5° | 109.5° |
H6 | C5 | H7 | 109.5° | 109.5° |
H8 | C6 | H9 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C3 | O1 | 171.9° | 180.0° |
O2 | C2 | C3 | C4 | 141.1° | 0.0° |
O2 | C2 | O1 | H1 | 0.0° | 0.0° |
O2 | C2 | C3 | H2 | 97.4° | 120.0° |
O2 | C2 | C3 | H3 | 19.6° | 120.0° |
C2 | C3 | C4 | H2 | 121.5° | 120.0° |
C2 | C3 | C4 | H3 | 121.5° | 120.0° |
C2 | C3 | C4 | C5 | 95.6° | 180.0° |
C3 | C2 | O1 | H1 | 170.7° | 180.0° |
C2 | C3 | H2 | H3 | 115.4° | 120.0° |
C2 | C3 | C4 | H4 | 144.0° | 60.0° |
C2 | C3 | C4 | H5 | 24.8° | 60.0° |
O1 | C2 | C3 | C4 | 47.0° | 180.0° |
O1 | C2 | C3 | H2 | 74.5° | 60.0° |
O1 | C2 | C3 | H3 | 168.5° | 60.0° |
C3 | C4 | C5 | H4 | 120.4° | 120.0° |
C3 | C4 | C5 | H5 | 120.4° | 120.0° |
C3 | C4 | C5 | C6 | 130.5° | 180.0° |
C4 | C3 | H2 | H3 | 115.3° | 120.0° |
C3 | C4 | H4 | H5 | 118.7° | 120.0° |
C3 | C4 | C5 | H6 | 8.4° | 60.0° |
C3 | C4 | C5 | H7 | 107.3° | 60.0° |
C4 | C5 | C6 | H6 | 122.1° | 120.0° |
C4 | C5 | C6 | H7 | 122.1° | 120.0° |
C4 | C5 | C6 | C7 | 60.0° | 180.0° |
C5 | C4 | C3 | H2 | 25.9° | 60.0° |
C5 | C4 | C3 | H3 | 142.9° | 60.0° |
C5 | C4 | H4 | H5 | 118.7° | 120.0° |
C4 | C5 | H6 | H7 | 112.8° | 120.0° |
C4 | C5 | C6 | H8 | 61.7° | 60.0° |
C4 | C5 | C6 | H9 | 178.3° | 60.0° |
C5 | C6 | C7 | H8 | 121.7° | 120.0° |
C5 | C6 | C7 | H9 | 121.7° | 120.0° |
C5 | C6 | C7 | O4 | 50.2° | 0.0° |
C5 | C6 | C7 | O3 | 142.8° | 180.0° |
C6 | C5 | C4 | H4 | 109.0° | 60.0° |
C6 | C5 | C4 | H5 | 10.1° | 60.0° |
C6 | C5 | H6 | H7 | 112.8° | 120.0° |
C5 | C6 | H8 | H9 | 114.6° | 120.0° |
C6 | C7 | O4 | O3 | 165.1° | 180.0° |
C7 | C6 | C5 | H6 | 177.9° | 60.0° |
C7 | C6 | C5 | H7 | 62.2° | 60.0° |
C7 | C6 | H8 | H9 | 114.7° | 120.0° |
C6 | C7 | O3 | H10 | 165.5° | 180.0° |
O4 | C7 | C6 | H8 | 71.5° | 120.0° |
O4 | C7 | C6 | H9 | 171.8° | 120.0° |
O4 | C7 | O3 | H10 | 0.0° | 0.0° |
O3 | C7 | C6 | H8 | 95.5° | 60.0° |
O3 | C7 | C6 | H9 | 21.2° | 60.0° |
H2 | C3 | C4 | H4 | 94.6° | 180.0° |
H2 | C3 | C4 | H5 | 146.3° | 60.0° |
H3 | C3 | C4 | H4 | 22.5° | 60.0° |
H3 | C3 | C4 | H5 | 96.7° | 180.0° |
H4 | C4 | C5 | H6 | 128.8° | 180.0° |
H4 | C4 | C5 | H7 | 13.1° | 60.0° |
H5 | C4 | C5 | H6 | 112.0° | 60.0° |
H5 | C4 | C5 | H7 | 132.3° | 180.0° |
H6 | C5 | C6 | H8 | 60.5° | 180.0° |
H6 | C5 | C6 | H9 | 56.2° | 60.0° |
H7 | C5 | C6 | H8 | 176.2° | 60.0° |
H7 | C5 | C6 | H9 | 59.5° | 180.0° |