OEG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | O5 | sing | 1.34Å | 1.43Å | |
O1 | C1 | doub | 1.21Å | 1.26Å | |
C2 | O2 | sing | 1.43Å | 1.46Å | |
C3 | O2 | sing | 1.43Å | 1.45Å | |
C3 | C4 | sing | 1.51Å | 1.53Å | |
C4 | O3 | doub | 1.21Å | 1.25Å | |
C4 | O4 | sing | 1.34Å | 1.25Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
O4 | H5 | sing | 0.97Å | 0.95Å | |
O5 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 119.2° | 120.0° |
C2 | C1 | O1 | 121.6° | 119.9° |
C1 | C2 | O2 | 118.1° | 109.5° |
C1 | C2 | H1 | 106.7° | 109.4° |
C1 | C2 | H2 | 104.7° | 109.5° |
O5 | C1 | O1 | 119.2° | 120.0° |
C1 | O5 | H6 | 109.5° | 117.0° |
C2 | O2 | C3 | 109.3° | 114.0° |
O2 | C2 | H1 | 106.7° | 109.5° |
O2 | C2 | H2 | 104.7° | 109.4° |
O2 | C3 | C4 | 111.7° | 109.5° |
O2 | C3 | H3 | 108.7° | 109.5° |
O2 | C3 | H4 | 108.2° | 109.4° |
C3 | C4 | O3 | 117.6° | 119.9° |
C3 | C4 | O4 | 118.1° | 120.0° |
C4 | C3 | H3 | 108.7° | 109.5° |
C4 | C3 | H4 | 108.2° | 109.5° |
O3 | C4 | O4 | 124.3° | 120.0° |
C4 | O4 | H5 | 109.5° | 117.0° |
H1 | C2 | H2 | 116.6° | 109.5° |
H3 | C3 | H4 | 111.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | O1 | 180.0° | 179.8° |
C1 | C2 | O2 | H1 | 120.0° | 120.0° |
C1 | C2 | O2 | H2 | 115.9° | 120.0° |
C1 | C2 | O2 | C3 | 75.7° | 179.9° |
C1 | C2 | H1 | H2 | 116.4° | 120.0° |
C2 | C1 | O5 | H6 | 180.0° | 180.0° |
O5 | C1 | C2 | O2 | 47.1° | 180.0° |
O5 | C1 | C2 | H1 | 167.1° | 60.0° |
O5 | C1 | C2 | H2 | 68.8° | 60.0° |
O1 | C1 | C2 | O2 | 132.9° | 0.2° |
O1 | C1 | C2 | H1 | 12.9° | 119.8° |
O1 | C1 | C2 | H2 | 111.2° | 120.2° |
O1 | C1 | O5 | H6 | 0.0° | 0.2° |
C2 | O2 | C3 | C4 | 158.7° | 180.0° |
O2 | C2 | H1 | H2 | 116.4° | 119.9° |
C2 | O2 | C3 | H3 | 38.7° | 59.9° |
C2 | O2 | C3 | H4 | 82.3° | 60.0° |
O2 | C3 | C4 | H3 | 120.0° | 120.1° |
O2 | C3 | C4 | H4 | 119.0° | 120.0° |
O2 | C3 | C4 | O3 | 119.0° | 0.0° |
O2 | C3 | C4 | O4 | 61.5° | 180.0° |
C3 | O2 | C2 | H1 | 164.3° | 59.9° |
C3 | O2 | C2 | H2 | 40.2° | 60.0° |
O2 | C3 | H3 | H4 | 119.1° | 119.9° |
C3 | C4 | O3 | O4 | 179.5° | 180.0° |
C4 | C3 | H3 | H4 | 119.1° | 120.0° |
C3 | C4 | O4 | H5 | 179.5° | 180.0° |
O3 | C4 | C3 | H3 | 1.0° | 120.0° |
O3 | C4 | C3 | H4 | 121.9° | 120.0° |
O3 | C4 | O4 | H5 | 0.0° | 0.0° |
O4 | C4 | C3 | H3 | 178.5° | 60.0° |
O4 | C4 | C3 | H4 | 57.6° | 60.0° |