R1X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.42Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | C2 | sing | 1.55Å | 1.55Å | |
C2 | C3 | sing | 1.55Å | 1.57Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O3 | C3 | sing | 1.43Å | 1.48Å | |
C3 | C4 | sing | 1.54Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C1 | O4 | sing | 1.44Å | 1.46Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1'A | sing | 1.09Å | 1.10Å | |
O4 | C4 | sing | 1.44Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
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) |
C2 | O2 | HO2 | 109.5° | 114.0° |
O2 | C2 | C1 | 110.6° | 110.9° |
O2 | C2 | C3 | 117.2° | 110.9° |
O2 | C2 | H2 | 102.8° | 110.8° |
C1 | C2 | C3 | 108.7° | 102.1° |
C1 | C2 | H2 | 112.4° | 111.0° |
C2 | C1 | O4 | 101.4° | 103.5° |
C2 | C1 | H1 | 112.2° | 110.6° |
C2 | C1 | H1'A | 114.0° | 110.6° |
C3 | C2 | H2 | 105.0° | 110.9° |
C2 | C3 | O3 | 118.5° | 110.4° |
C2 | C3 | C4 | 100.9° | 104.2° |
C2 | C3 | H3 | 109.3° | 110.5° |
O3 | C3 | C4 | 108.8° | 110.5° |
O3 | C3 | H3 | 101.4° | 110.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 118.9° | 110.5° |
C3 | C4 | O4 | 107.5° | 107.3° |
C3 | C4 | C5 | 113.0° | 109.9° |
C3 | C4 | H4 | 109.0° | 109.9° |
O4 | C1 | H1 | 112.2° | 110.6° |
O4 | C1 | H1'A | 113.9° | 110.6° |
C1 | O4 | C4 | 115.5° | 107.0° |
H1 | C1 | H1'A | 103.5° | 110.7° |
O4 | C4 | C5 | 111.0° | 109.9° |
O4 | C4 | H4 | 111.1° | 109.9° |
C5 | C4 | H4 | 105.3° | 110.0° |
C4 | C5 | O5 | 113.6° | 109.5° |
C4 | C5 | H51 | 108.1° | 109.5° |
C4 | C5 | H52 | 107.2° | 109.5° |
O5 | C5 | H51 | 108.1° | 109.5° |
O5 | C5 | H52 | 107.2° | 109.4° |
C5 | O5 | HO5 | 109.5° | 114.0° |
H51 | C5 | H52 | 112.7° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | C1 | C3 | 130.0° | 118.2° |
O2 | C2 | C1 | H2 | 114.2° | 123.6° |
O2 | C2 | C3 | H2 | 113.3° | 123.5° |
O2 | C2 | C3 | O3 | 32.2° | 20.4° |
O2 | C2 | C3 | C4 | 150.7° | 139.1° |
O2 | C2 | C3 | H3 | 83.2° | 102.2° |
O2 | C2 | C1 | O4 | 147.6° | 155.2° |
O2 | C2 | C1 | H1 | 92.4° | 86.3° |
O2 | C2 | C1 | H1'A | 24.8° | 36.8° |
HO2 | O2 | C2 | C1 | 40.8° | 67.3° |
HO2 | O2 | C2 | C3 | 84.5° | 180.0° |
HO2 | O2 | C2 | H2 | 161.0° | 56.4° |
C1 | C2 | C3 | H2 | 120.5° | 118.3° |
C1 | C2 | C3 | O3 | 94.1° | 97.8° |
C1 | C2 | C3 | C4 | 24.5° | 20.9° |
C1 | C2 | C3 | H3 | 150.5° | 139.6° |
C2 | C1 | O4 | H1 | 120.0° | 118.5° |
C2 | C1 | O4 | H1'A | 122.9° | 118.5° |
C2 | C1 | H1 | H1'A | 123.3° | 123.0° |
C2 | C1 | O4 | C4 | 3.2° | 40.1° |
C2 | C3 | O3 | C4 | 114.3° | 114.8° |
C2 | C3 | O3 | H3 | 119.6° | 122.6° |
C2 | C3 | C4 | H3 | 119.4° | 118.7° |
C2 | C3 | O3 | HO3 | 161.8° | 61.5° |
C3 | C2 | C1 | O4 | 17.6° | 37.0° |
C3 | C2 | C1 | H1 | 137.6° | 155.5° |
C3 | C2 | C1 | H1'A | 105.2° | 81.4° |
C2 | C3 | C4 | O4 | 22.0° | 2.0° |
C2 | C3 | C4 | C5 | 100.8° | 121.5° |
C2 | C3 | C4 | H4 | 142.5° | 117.4° |
H2 | C2 | C3 | O3 | 145.5° | 143.9° |
H2 | C2 | C3 | C4 | 96.0° | 97.4° |
H2 | C2 | C3 | H3 | 30.1° | 21.3° |
H2 | C2 | C1 | O4 | 98.1° | 81.2° |
H2 | C2 | C1 | H1 | 21.8° | 37.3° |
H2 | C2 | C1 | H1'A | 139.0° | 160.4° |
O3 | C3 | C4 | H3 | 115.3° | 122.6° |
O3 | C3 | C4 | O4 | 103.3° | 120.7° |
O3 | C3 | C4 | C5 | 133.9° | 119.9° |
O3 | C3 | C4 | H4 | 17.1° | 1.3° |
C4 | C3 | O3 | HO3 | 83.9° | 176.3° |
C3 | C4 | O4 | C1 | 12.7° | 26.5° |
C3 | C4 | O4 | C5 | 124.1° | 119.4° |
C3 | C4 | O4 | H4 | 119.1° | 119.4° |
C3 | C4 | C5 | H4 | 118.9° | 121.1° |
C3 | C4 | C5 | O5 | 173.8° | 175.0° |
C3 | C4 | C5 | H51 | 53.9° | 55.0° |
C3 | C4 | C5 | H52 | 67.9° | 65.0° |
H3 | C3 | O3 | HO3 | 42.3° | 61.1° |
H3 | C3 | C4 | O4 | 141.4° | 116.7° |
H3 | C3 | C4 | C5 | 18.6° | 2.8° |
H3 | C3 | C4 | H4 | 98.2° | 123.9° |
O4 | C1 | H1 | H1'A | 123.2° | 122.9° |
C1 | O4 | C4 | C5 | 111.3° | 145.9° |
C1 | O4 | C4 | H4 | 131.8° | 92.9° |
H1 | C1 | O4 | C4 | 123.2° | 158.6° |
H1'A | C1 | O4 | C4 | 119.7° | 78.4° |
O4 | C4 | C5 | H4 | 120.3° | 121.1° |
O4 | C4 | C5 | O5 | 65.3° | 67.1° |
O4 | C4 | C5 | H51 | 174.7° | 172.8° |
O4 | C4 | C5 | H52 | 52.9° | 52.8° |
C4 | C5 | O5 | H51 | 120.0° | 120.1° |
C4 | C5 | O5 | H52 | 118.2° | 120.0° |
C4 | C5 | H51 | H52 | 118.3° | 120.0° |
C4 | C5 | O5 | HO5 | 174.6° | 180.0° |
H4 | C4 | C5 | O5 | 55.0° | 53.9° |
H4 | C4 | C5 | H51 | 65.0° | 66.1° |
H4 | C4 | C5 | H52 | 173.2° | 173.9° |
O5 | C5 | H51 | H52 | 118.3° | 119.9° |
H51 | C5 | O5 | HO5 | 54.6° | 59.9° |
H52 | C5 | O5 | HO5 | 67.2° | 60.0° |