R2G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C3 | sing | 1.43Å | 1.38Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.47Å | |
C4 | C3 | sing | 1.55Å | 1.51Å | |
C4 | O4 | sing | 1.44Å | 1.46Å | |
C3 | C2 | sing | 1.52Å | 1.56Å | |
C2 | C1 | doub | 1.32Å | 1.33Å | |
O4 | C1 | sing | 1.35Å | 1.38Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C3 | C4 | 117.7° | 111.0° |
O3 | C3 | C2 | 105.8° | 111.0° |
O3 | C3 | H3 | 113.5° | 110.8° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C5 | O5 | 114.3° | 109.4° |
C5 | C4 | C3 | 133.9° | 110.9° |
C5 | C4 | O4 | 105.1° | 111.2° |
C5 | C4 | H4 | 108.8° | 111.0° |
C4 | C5 | H51 | 108.3° | 109.5° |
C4 | C5 | H52 | 108.3° | 109.5° |
O5 | C5 | H51 | 108.2° | 109.5° |
O5 | C5 | H52 | 108.2° | 109.4° |
C5 | O5 | HO5 | 109.5° | 114.0° |
C3 | C4 | O4 | 85.3° | 101.7° |
C4 | C3 | C2 | 96.3° | 101.7° |
C4 | C3 | H3 | 111.3° | 111.0° |
C3 | C4 | H4 | 109.3° | 111.0° |
C4 | O4 | C1 | 101.8° | 108.6° |
O4 | C4 | H4 | 109.9° | 110.8° |
C3 | C2 | C1 | 100.1° | 107.4° |
C3 | C2 | H2 | 129.9° | 126.3° |
C2 | C3 | H3 | 110.6° | 111.0° |
C2 | C1 | O4 | 106.9° | 113.6° |
C2 | C1 | H1 | 126.6° | 123.2° |
C1 | C2 | H2 | 129.9° | 126.3° |
O4 | C1 | H1 | 126.6° | 123.2° |
H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C3 | C4 | C5 | 81.7° | 147.6° |
O3 | C3 | C4 | C2 | 111.5° | 118.1° |
O3 | C3 | C4 | H3 | 133.4° | 123.7° |
O3 | C3 | C4 | O4 | 171.8° | 94.1° |
O3 | C3 | C2 | H3 | 123.3° | 123.7° |
O3 | C3 | C2 | C1 | 162.8° | 103.0° |
O3 | C3 | C2 | H2 | 17.2° | 77.1° |
O3 | C3 | C4 | H4 | 62.4° | 23.8° |
C4 | C5 | O5 | H51 | 120.7° | 120.0° |
C4 | C5 | O5 | H52 | 120.7° | 120.0° |
C5 | C4 | C3 | O4 | 106.5° | 118.3° |
C5 | C4 | C3 | H4 | 144.1° | 123.8° |
C5 | C4 | O4 | H4 | 116.9° | 123.9° |
C5 | C4 | C3 | C2 | 166.8° | 94.3° |
C5 | C4 | O4 | C1 | 161.8° | 92.1° |
C5 | C4 | C3 | H3 | 51.8° | 23.9° |
C4 | C5 | H51 | H52 | 117.8° | 120.0° |
C4 | C5 | O5 | HO5 | 180.0° | 180.0° |
O5 | C5 | C4 | C3 | 117.1° | 175.0° |
O5 | C5 | C4 | O4 | 18.9° | 72.7° |
O5 | C5 | C4 | H4 | 98.7° | 51.2° |
O5 | C5 | H51 | H52 | 117.8° | 120.0° |
C3 | C4 | O4 | H4 | 108.8° | 118.0° |
C4 | C3 | C2 | H3 | 115.6° | 118.2° |
C4 | C3 | C2 | C1 | 41.7° | 15.1° |
C3 | C4 | O4 | C1 | 63.9° | 26.0° |
C4 | C3 | C2 | H2 | 138.3° | 164.8° |
C4 | C3 | O3 | HO3 | 180.0° | 173.7° |
C3 | C4 | C5 | H51 | 3.6° | 65.0° |
C3 | C4 | C5 | H52 | 122.2° | 55.1° |
O4 | C4 | C3 | C2 | 60.3° | 24.0° |
C4 | O4 | C1 | C2 | 42.2° | 18.1° |
C4 | O4 | C1 | H1 | 137.8° | 162.1° |
O4 | C4 | C3 | H3 | 54.7° | 142.1° |
O4 | C4 | C5 | H51 | 101.8° | 47.3° |
O4 | C4 | C5 | H52 | 139.6° | 167.4° |
C3 | C2 | C1 | H2 | 180.0° | 179.9° |
C3 | C2 | C1 | O4 | 1.0° | 0.8° |
C3 | C2 | C1 | H1 | 179.0° | 179.5° |
C2 | C3 | O3 | HO3 | 73.9° | 61.4° |
C2 | C3 | C4 | H4 | 49.2° | 141.9° |
C2 | C1 | O4 | H1 | 180.0° | 179.8° |
C1 | C2 | C3 | H3 | 73.9° | 133.3° |
O4 | C1 | C2 | H2 | 179.0° | 179.3° |
C1 | O4 | C4 | H4 | 44.9° | 144.0° |
H1 | C1 | C2 | H2 | 1.0° | 0.5° |
H2 | C2 | C3 | H3 | 106.1° | 46.6° |
H3 | C3 | O3 | HO3 | 47.5° | 62.4° |
H3 | C3 | C4 | H4 | 164.2° | 99.9° |
H4 | C4 | C5 | H51 | 140.6° | 171.2° |
H4 | C4 | C5 | H52 | 22.0° | 68.8° |
H51 | C5 | O5 | HO5 | 59.3° | 60.0° |
H52 | C5 | O5 | HO5 | 59.3° | 60.0° |