1X4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | sing | 1.55Å | 1.53Å | |
C2 | C1 | sing | 1.55Å | 1.52Å | |
C3 | C4 | sing | 1.54Å | 1.52Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C1 | O4 | sing | 1.44Å | 1.42Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
O2P | P | doub | 1.48Å | 1.62Å | |
O5 | C5 | sing | 1.43Å | 1.43Å | |
O5 | P | sing | 1.61Å | 1.61Å | |
P | O1P | sing | 1.61Å | 1.61Å | |
P | O3P | sing | 1.61Å | 1.48Å | |
O1P | H1A | sing | 0.97Å | 0.95Å | |
O3P | H2A | sing | 0.97Å | 0.95Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H9 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | C1 | 103.4° | 100.9° |
C2 | C3 | C4 | 103.5° | 102.3° |
C2 | C3 | H3 | 110.9° | 110.8° |
C2 | C3 | H7 | 111.0° | 111.0° |
C3 | C2 | H2 | 111.0° | 111.1° |
C3 | C2 | H9 | 111.0° | 111.2° |
C2 | C1 | O1 | 108.9° | 110.3° |
C2 | C1 | O4 | 103.5° | 105.1° |
C1 | C2 | H2 | 111.0° | 111.1° |
C1 | C2 | H9 | 110.9° | 111.1° |
C2 | C1 | H1 | 111.3° | 110.3° |
C3 | C4 | O4 | 104.3° | 107.6° |
C3 | C4 | C5 | 107.8° | 109.8° |
C3 | C4 | H4 | 111.6° | 109.9° |
C4 | C3 | H3 | 110.9° | 110.9° |
C4 | C3 | H7 | 110.9° | 110.9° |
O1 | C1 | O4 | 106.9° | 110.3° |
O1 | C1 | H1 | 112.9° | 110.2° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | O4 | C4 | 103.2° | 110.0° |
O4 | C1 | H1 | 112.9° | 110.4° |
O4 | C4 | C5 | 108.0° | 109.8° |
O4 | C4 | H4 | 112.9° | 109.8° |
C4 | C5 | O5 | 111.2° | 109.5° |
C4 | C5 | H51 | 109.0° | 109.5° |
C4 | C5 | H52 | 109.0° | 109.5° |
C5 | C4 | H4 | 111.8° | 109.9° |
O2P | P | O5 | 106.3° | 109.5° |
O2P | P | O1P | 105.1° | 109.5° |
O2P | P | O3P | 112.8° | 109.5° |
C5 | O5 | P | 119.0° | 123.0° |
O5 | C5 | H51 | 109.1° | 109.5° |
O5 | C5 | H52 | 109.0° | 109.4° |
O5 | P | O1P | 107.8° | 109.4° |
O5 | P | O3P | 112.9° | 109.5° |
O1P | P | O3P | 111.5° | 109.5° |
P | O1P | H1A | 109.5° | 114.0° |
P | O3P | H2A | 109.5° | 114.0° |
H51 | C5 | H52 | 109.5° | 109.5° |
H3 | C3 | H7 | 109.5° | 110.8° |
H2 | C2 | H9 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | C1 | H2 | 119.0° | 117.9° |
C3 | C2 | C1 | H9 | 119.0° | 117.9° |
C2 | C3 | C4 | H3 | 119.0° | 118.2° |
C2 | C3 | C4 | H7 | 119.0° | 118.4° |
C3 | C2 | C1 | O1 | 82.6° | 155.4° |
C3 | C2 | C1 | O4 | 30.8° | 36.5° |
C2 | C3 | C4 | O4 | 23.5° | 21.4° |
C2 | C3 | C4 | C5 | 138.1° | 140.9° |
C2 | C3 | C4 | H4 | 98.8° | 98.1° |
C2 | C3 | H3 | H7 | 122.8° | 123.6° |
C3 | C2 | H2 | H9 | 122.8° | 124.3° |
C3 | C2 | C1 | H1 | 152.3° | 82.5° |
C1 | C2 | C3 | C4 | 4.2° | 34.2° |
C2 | C1 | O1 | O4 | 111.2° | 115.7° |
C2 | C1 | O1 | H1 | 124.1° | 122.1° |
C2 | C1 | O4 | H1 | 120.4° | 119.0° |
C2 | C1 | O4 | C4 | 47.0° | 24.4° |
C1 | C2 | C3 | H3 | 114.8° | 84.1° |
C1 | C2 | C3 | H7 | 123.2° | 152.4° |
C1 | C2 | H2 | H9 | 122.8° | 124.2° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C3 | C4 | O4 | C1 | 44.3° | 1.7° |
C3 | C4 | O4 | C5 | 114.5° | 119.5° |
C3 | C4 | O4 | H4 | 121.3° | 119.6° |
C3 | C4 | C5 | H4 | 123.0° | 121.0° |
C3 | C4 | C5 | O5 | 71.0° | 175.4° |
C3 | C4 | C5 | H51 | 49.2° | 64.6° |
C3 | C4 | C5 | H52 | 168.7° | 55.5° |
C4 | C3 | H3 | H7 | 122.8° | 123.5° |
C4 | C3 | C2 | H2 | 114.8° | 152.0° |
C4 | C3 | C2 | H9 | 123.2° | 83.8° |
O1 | C1 | O4 | H1 | 124.8° | 122.1° |
O1 | C1 | O4 | C4 | 67.9° | 143.4° |
O1 | C1 | C2 | H2 | 158.3° | 86.7° |
O1 | C1 | C2 | H9 | 36.4° | 37.4° |
C1 | O4 | C4 | C5 | 158.8° | 117.8° |
C1 | O4 | C4 | H4 | 77.1° | 121.3° |
O4 | C1 | C2 | H2 | 88.2° | 154.3° |
O4 | C1 | C2 | H9 | 149.8° | 81.5° |
O4 | C1 | O1 | HO1 | 68.8° | 64.3° |
O4 | C4 | C5 | H4 | 124.9° | 120.9° |
O4 | C4 | C5 | O5 | 176.8° | 66.5° |
O4 | C4 | C5 | H51 | 62.9° | 53.5° |
O4 | C4 | C5 | H52 | 56.6° | 173.6° |
O4 | C4 | C3 | H3 | 142.5° | 96.8° |
O4 | C4 | C3 | H7 | 95.6° | 139.7° |
C4 | O4 | C1 | H1 | 167.3° | 94.5° |
C4 | C5 | O5 | H51 | 120.2° | 120.0° |
C4 | C5 | O5 | H52 | 120.2° | 120.0° |
C4 | C5 | O5 | P | 176.5° | 180.0° |
C4 | C5 | H51 | H52 | 119.2° | 120.0° |
C5 | C4 | C3 | H3 | 102.9° | 22.7° |
C5 | C4 | C3 | H7 | 19.1° | 100.8° |
O2P | P | O5 | C5 | 134.6° | 55.0° |
O2P | P | O5 | O1P | 112.2° | 120.0° |
O2P | P | O5 | O3P | 124.2° | 120.1° |
O2P | P | O1P | O3P | 122.6° | 120.0° |
O2P | P | O1P | H1A | 0.0° | 60.0° |
O2P | P | O3P | H2A | 0.0° | 179.9° |
C5 | O5 | P | O1P | 22.3° | 175.0° |
C5 | O5 | P | O3P | 101.2° | 65.0° |
O5 | C5 | H51 | H52 | 119.2° | 120.0° |
O5 | C5 | C4 | H4 | 52.0° | 54.4° |
O5 | P | O1P | O3P | 124.4° | 120.0° |
O5 | P | O1P | H1A | 113.0° | 180.0° |
O5 | P | O3P | H2A | 120.5° | 59.9° |
P | O5 | C5 | H51 | 63.3° | 60.0° |
P | O5 | C5 | H52 | 56.2° | 60.0° |
O1P | P | O3P | H2A | 118.0° | 60.1° |
O3P | P | O1P | H1A | 122.6° | 60.0° |
H51 | C5 | C4 | H4 | 172.2° | 174.4° |
H52 | C5 | C4 | H4 | 68.3° | 65.6° |
H4 | C4 | C3 | H3 | 20.3° | 143.7° |
H4 | C4 | C3 | H7 | 142.2° | 20.2° |
H3 | C3 | C2 | H2 | 126.2° | 33.8° |
H3 | C3 | C2 | H9 | 4.2° | 158.0° |
H7 | C3 | C2 | H2 | 4.2° | 89.7° |
H7 | C3 | C2 | H9 | 117.8° | 34.5° |
H2 | C2 | C1 | H1 | 33.3° | 35.3° |
H9 | C2 | C1 | H1 | 88.7° | 159.5° |
H1 | C1 | O1 | HO1 | 55.9° | 57.9° |