7A3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C | doub | 1.21Å | 1.26Å | |
O6 | C5 | doub | 1.21Å | 1.25Å | |
O | C | sing | 1.34Å | 1.24Å | |
C | C1 | sing | 1.51Å | 1.50Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C5 | O7 | sing | 1.34Å | 1.27Å | |
C5 | C4 | sing | 1.51Å | 1.52Å | |
O2 | C2 | sing | 1.43Å | 1.42Å | |
C2 | C4 | sing | 1.53Å | 1.54Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C4 | O5 | sing | 1.43Å | 1.41Å | |
C3 | O4 | doub | 1.21Å | 1.27Å | |
C3 | O3 | sing | 1.34Å | 1.26Å | |
O2 | H3 | sing | 0.97Å | 0.95Å | |
O3 | H4 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H5 | sing | 1.09Å | 1.10Å | |
O | H7 | sing | 0.97Å | 0.95Å | |
O5 | H6 | sing | 0.97Å | 0.95Å | |
O7 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C | O | 123.9° | 120.0° |
O1 | C | C1 | 113.4° | 120.0° |
O6 | C5 | O7 | 124.8° | 120.0° |
O6 | C5 | C4 | 120.3° | 120.0° |
O | C | C1 | 122.7° | 120.0° |
C | O | H7 | 109.5° | 117.0° |
C | C1 | C2 | 114.0° | 109.5° |
C | C1 | H1 | 108.3° | 109.5° |
C | C1 | H2 | 108.4° | 109.5° |
C1 | C2 | O2 | 110.5° | 109.5° |
C1 | C2 | C4 | 108.2° | 109.4° |
C1 | C2 | C3 | 109.8° | 109.5° |
C2 | C1 | H1 | 108.4° | 109.5° |
C2 | C1 | H2 | 108.3° | 109.5° |
O7 | C5 | C4 | 114.8° | 120.0° |
C5 | O7 | H8 | 109.5° | 117.0° |
C5 | C4 | C2 | 109.9° | 109.4° |
C5 | C4 | O5 | 109.7° | 109.5° |
C5 | C4 | H5 | 108.4° | 109.4° |
O2 | C2 | C4 | 112.6° | 109.5° |
O2 | C2 | C3 | 108.2° | 109.5° |
C2 | O2 | H3 | 109.5° | 114.0° |
C4 | C2 | C3 | 107.5° | 109.5° |
C2 | C4 | O5 | 110.6° | 109.5° |
C2 | C4 | H5 | 108.2° | 109.5° |
C2 | C3 | O4 | 113.3° | 120.0° |
C2 | C3 | O3 | 122.3° | 120.0° |
O5 | C4 | H5 | 109.9° | 109.5° |
C4 | O5 | H6 | 109.5° | 114.0° |
O4 | C3 | O3 | 124.5° | 120.0° |
C3 | O3 | H4 | 109.5° | 117.0° |
H1 | C1 | H2 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C | O | C1 | 178.2° | 180.0° |
O1 | C | C1 | C2 | 133.8° | 0.0° |
O1 | C | C1 | H1 | 13.1° | 120.0° |
O1 | C | C1 | H2 | 105.5° | 120.0° |
O1 | C | O | H7 | 0.0° | 0.1° |
O6 | C5 | O7 | C4 | 178.7° | 180.0° |
O6 | C5 | C4 | C2 | 75.1° | 115.1° |
O6 | C5 | C4 | O5 | 163.0° | 5.0° |
O6 | C5 | C4 | H5 | 42.9° | 125.0° |
O6 | C5 | O7 | H8 | 0.0° | 0.0° |
O | C | C1 | C2 | 47.8° | 180.0° |
O | C | C1 | H1 | 168.5° | 60.0° |
O | C | C1 | H2 | 72.9° | 60.0° |
C | C1 | C2 | H1 | 120.7° | 120.0° |
C | C1 | C2 | H2 | 120.7° | 120.0° |
C | C1 | C2 | O2 | 70.5° | 60.0° |
C | C1 | C2 | C4 | 165.8° | 180.0° |
C | C1 | C2 | C3 | 48.8° | 60.0° |
C | C1 | H1 | H2 | 118.0° | 120.0° |
C1 | C | O | H7 | 178.2° | 179.9° |
C1 | C2 | C4 | C5 | 68.2° | 175.0° |
C1 | C2 | O2 | C4 | 121.1° | 120.0° |
C1 | C2 | O2 | C3 | 120.2° | 120.0° |
C1 | C2 | C4 | C3 | 118.5° | 120.0° |
C1 | C2 | C4 | O5 | 170.5° | 55.0° |
C1 | C2 | C3 | O4 | 62.7° | 120.1° |
C1 | C2 | C3 | O3 | 117.8° | 60.0° |
C1 | C2 | O2 | H3 | 180.0° | 60.0° |
C2 | C1 | H1 | H2 | 117.9° | 120.0° |
C1 | C2 | C4 | H5 | 50.0° | 65.1° |
O7 | C5 | C4 | C2 | 103.6° | 65.0° |
O7 | C5 | C4 | O5 | 18.2° | 175.0° |
O7 | C5 | C4 | H5 | 138.3° | 55.0° |
C5 | C4 | C2 | O2 | 54.2° | 65.0° |
C5 | C4 | C2 | O5 | 121.3° | 120.0° |
C5 | C4 | C2 | H5 | 118.2° | 119.9° |
C5 | C4 | C2 | C3 | 173.3° | 55.0° |
C5 | C4 | O5 | H5 | 119.1° | 120.0° |
C5 | C4 | O5 | H6 | 180.0° | 60.0° |
C4 | C5 | O7 | H8 | 178.7° | 180.0° |
O2 | C2 | C4 | C3 | 119.1° | 120.1° |
O2 | C2 | C4 | O5 | 67.1° | 175.0° |
O2 | C2 | C3 | O4 | 176.7° | 0.1° |
O2 | C2 | C3 | O3 | 2.9° | 180.0° |
O2 | C2 | C1 | H1 | 168.8° | 60.0° |
O2 | C2 | C1 | H2 | 50.2° | 180.0° |
O2 | C2 | C4 | H5 | 172.5° | 54.9° |
C2 | C4 | O5 | H5 | 119.4° | 120.1° |
C4 | C2 | C3 | O4 | 54.8° | 120.0° |
C4 | C2 | C3 | O3 | 124.8° | 59.9° |
C4 | C2 | O2 | H3 | 58.9° | 60.0° |
C4 | C2 | C1 | H1 | 45.1° | 60.0° |
C4 | C2 | C1 | H2 | 73.5° | 60.0° |
C2 | C4 | O5 | H6 | 58.6° | 60.0° |
C3 | C2 | C4 | O5 | 52.0° | 65.0° |
C2 | C3 | O4 | O3 | 179.6° | 179.9° |
C3 | C2 | O2 | H3 | 59.7° | 180.0° |
C2 | C3 | O3 | H4 | 179.5° | 180.0° |
C3 | C2 | C1 | H1 | 71.9° | 180.0° |
C3 | C2 | C1 | H2 | 169.4° | 60.0° |
C3 | C2 | C4 | H5 | 68.5° | 175.0° |
O4 | C3 | O3 | H4 | 0.0° | 0.1° |
H5 | C4 | O5 | H6 | 60.9° | 180.0° |