LYY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C3 | sing | 1.43Å | 1.42Å | |
O5 | C1 | sing | 1.43Å | 1.45Å | |
O5 | C5 | sing | 1.43Å | 1.45Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
O3 | H3 | sing | 0.97Å | 0.95Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | H2A | sing | 0.97Å | 0.95Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | H4A | sing | 0.97Å | 0.95Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C3 | C2 | 110.7° | 109.6° |
O3 | C3 | C4 | 109.3° | 109.5° |
C3 | O3 | H3 | 109.5° | 114.0° |
O3 | C3 | H3A | 109.5° | 109.5° |
C1 | O5 | C5 | 113.8° | 114.1° |
O5 | C1 | C2 | 112.1° | 109.5° |
O5 | C1 | H11 | 108.6° | 109.5° |
O5 | C1 | H12 | 108.0° | 109.5° |
O5 | C5 | C4 | 109.6° | 109.5° |
O5 | C5 | H51 | 109.5° | 109.5° |
O5 | C5 | H52 | 109.4° | 109.5° |
C1 | C2 | O2 | 108.9° | 109.5° |
C1 | C2 | C3 | 115.5° | 109.2° |
C2 | C1 | H11 | 108.6° | 109.5° |
C2 | C1 | H12 | 108.0° | 109.5° |
C1 | C2 | H2 | 105.5° | 109.6° |
O2 | C2 | C3 | 108.6° | 109.5° |
O2 | C2 | H2 | 112.7° | 109.5° |
C2 | O2 | H2A | 109.5° | 114.0° |
C2 | C3 | C4 | 111.4° | 109.1° |
C3 | C2 | H2 | 105.8° | 109.6° |
C2 | C3 | H3A | 107.3° | 109.6° |
C3 | C4 | O4 | 109.9° | 109.6° |
C3 | C4 | C5 | 108.9° | 109.1° |
C4 | C3 | H3A | 108.7° | 109.6° |
C3 | C4 | H4 | 109.7° | 109.5° |
O4 | C4 | C5 | 109.8° | 109.6° |
O4 | C4 | H4 | 108.8° | 109.5° |
C4 | O4 | H4A | 109.5° | 114.0° |
C5 | C4 | H4 | 109.7° | 109.6° |
C4 | C5 | H51 | 109.4° | 109.5° |
C4 | C5 | H52 | 109.4° | 109.5° |
H11 | C1 | H12 | 111.5° | 109.4° |
H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C3 | C2 | C1 | 80.9° | 176.8° |
O3 | C3 | C2 | O2 | 41.6° | 56.9° |
O3 | C3 | C2 | C4 | 121.8° | 119.9° |
O3 | C3 | C2 | H3A | 119.4° | 120.2° |
O3 | C3 | C4 | H3A | 119.4° | 120.2° |
O3 | C3 | C4 | O4 | 169.6° | 63.2° |
O3 | C3 | C4 | C5 | 70.0° | 176.8° |
O3 | C3 | C2 | H2 | 162.9° | 63.2° |
O3 | C3 | C4 | H4 | 50.0° | 56.9° |
O5 | C1 | C2 | H11 | 120.0° | 120.0° |
O5 | C1 | C2 | H12 | 118.9° | 120.0° |
O5 | C1 | C2 | O2 | 161.0° | 62.3° |
O5 | C1 | C2 | C3 | 38.6° | 57.6° |
C1 | O5 | C5 | C4 | 64.8° | 61.2° |
O5 | C1 | H11 | H12 | 118.9° | 120.0° |
O5 | C1 | C2 | H2 | 77.8° | 177.6° |
C1 | O5 | C5 | H51 | 55.2° | 178.9° |
C1 | O5 | C5 | H52 | 175.2° | 58.8° |
C5 | O5 | C1 | C2 | 50.4° | 61.2° |
O5 | C5 | C4 | C3 | 64.6° | 57.6° |
O5 | C5 | C4 | O4 | 55.7° | 177.5° |
O5 | C5 | C4 | H51 | 120.0° | 120.0° |
O5 | C5 | C4 | H52 | 120.0° | 120.0° |
C5 | O5 | C1 | H11 | 170.5° | 58.8° |
C5 | O5 | C1 | H12 | 68.5° | 178.9° |
O5 | C5 | C4 | H4 | 175.3° | 62.3° |
O5 | C5 | H51 | H52 | 120.0° | 120.0° |
C1 | C2 | O2 | C3 | 126.4° | 119.7° |
C1 | C2 | O2 | H2 | 116.7° | 120.2° |
C1 | C2 | C3 | H2 | 116.2° | 120.0° |
C1 | C2 | C3 | C4 | 40.9° | 56.9° |
C2 | C1 | H11 | H12 | 118.9° | 120.0° |
C1 | C2 | O2 | H2A | 11.7° | 60.0° |
C1 | C2 | C3 | H3A | 159.7° | 63.0° |
O2 | C2 | C3 | H2 | 121.3° | 120.1° |
O2 | C2 | C3 | C4 | 163.5° | 62.9° |
O2 | C2 | C1 | H11 | 79.0° | 177.7° |
O2 | C2 | C1 | H12 | 42.1° | 57.8° |
O2 | C2 | C3 | H3A | 77.7° | 177.1° |
C2 | C3 | C4 | H3A | 118.0° | 119.9° |
C2 | C3 | C4 | O4 | 67.7° | 176.9° |
C2 | C3 | C4 | C5 | 52.6° | 56.9° |
C2 | C3 | O3 | H3 | 96.6° | 180.0° |
C3 | C2 | C1 | H11 | 158.6° | 62.4° |
C3 | C2 | C1 | H12 | 80.3° | 177.6° |
C3 | C2 | O2 | H2A | 138.1° | 179.7° |
C2 | C3 | C4 | H4 | 172.7° | 63.0° |
C3 | C4 | O4 | C5 | 119.8° | 119.7° |
C3 | C4 | O4 | H4 | 120.1° | 120.1° |
C3 | C4 | C5 | H4 | 120.1° | 119.9° |
C4 | C3 | O3 | H3 | 140.4° | 60.4° |
C4 | C3 | C2 | H2 | 75.3° | 177.0° |
C3 | C4 | O4 | H4A | 142.1° | 180.0° |
C3 | C4 | C5 | H51 | 55.4° | 177.6° |
C3 | C4 | C5 | H52 | 175.4° | 62.4° |
O4 | C4 | C5 | H4 | 119.6° | 120.2° |
O4 | C4 | C3 | H3A | 50.2° | 57.0° |
O4 | C4 | C5 | H51 | 175.8° | 62.5° |
O4 | C4 | C5 | H52 | 64.2° | 57.5° |
C5 | C4 | C3 | H3A | 170.5° | 63.0° |
C5 | C4 | O4 | H4A | 22.3° | 60.3° |
C4 | C5 | H51 | H52 | 119.9° | 120.0° |
H3 | O3 | C3 | H3A | 21.5° | 59.8° |
H11 | C1 | C2 | H2 | 42.2° | 57.6° |
H12 | C1 | C2 | H2 | 163.3° | 62.3° |
H2 | C2 | O2 | H2A | 105.0° | 60.1° |
H2 | C2 | C3 | H3A | 43.5° | 57.0° |
H3A | C3 | C4 | H4 | 69.4° | 177.1° |
H4 | C4 | O4 | H4A | 97.8° | 59.9° |
H4 | C4 | C5 | H51 | 64.7° | 57.7° |
H4 | C4 | C5 | H52 | 55.3° | 177.7° |