AH8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | sing | 1.47Å | 1.46Å | |
C1 | C2 | sing | 1.54Å | 1.52Å | |
C1 | O4 | sing | 1.44Å | 1.47Å | |
N1 | N2 | doub | 1.12Å | 1.13Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.55Å | 1.52Å | |
N2 | N3 | doub | 1.12Å | 1.14Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.54Å | 1.53Å | |
C4 | O4 | sing | 1.44Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
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) |
N1 | C1 | C2 | 111.3° | 110.4° |
N1 | C1 | O4 | 107.7° | 110.3° |
C1 | N1 | N2 | 108.4° | 119.9° |
N1 | C1 | H1 | 108.4° | 110.4° |
C2 | C1 | O4 | 106.1° | 104.8° |
C1 | C2 | O2 | 108.9° | 110.5° |
C1 | C2 | C3 | 102.7° | 104.1° |
C2 | C1 | H1 | 110.0° | 110.4° |
C1 | C2 | H2 | 114.1° | 110.5° |
C1 | O4 | C4 | 106.5° | 105.3° |
O4 | C1 | H1 | 113.4° | 110.4° |
N1 | N2 | N3 | 175.3° | 180.0° |
O2 | C2 | C3 | 109.4° | 110.5° |
O2 | C2 | H2 | 108.0° | 110.4° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 109.8° | 110.5° |
C2 | C3 | C4 | 101.3° | 104.0° |
C3 | C2 | H2 | 113.7° | 110.6° |
C2 | C3 | H3 | 115.3° | 110.5° |
O3 | C3 | C4 | 111.7° | 110.5° |
O3 | C3 | H3 | 105.4° | 110.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 100.6° | 104.8° |
C3 | C4 | C5 | 113.4° | 110.4° |
C4 | C3 | H3 | 113.4° | 110.6° |
C3 | C4 | H4 | 111.3° | 110.3° |
O4 | C4 | C5 | 104.6° | 110.4° |
O4 | C4 | H4 | 119.2° | 110.4° |
C4 | C5 | O5 | 110.3° | 109.5° |
C5 | C4 | H4 | 107.7° | 110.4° |
C4 | C5 | H51 | 109.2° | 109.5° |
C4 | C5 | H52 | 109.2° | 109.5° |
O5 | C5 | H51 | 109.2° | 109.4° |
O5 | C5 | H52 | 109.2° | 109.5° |
C5 | O5 | HO5 | 109.5° | 114.0° |
H51 | C5 | H52 | 109.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | C2 | O4 | 116.9° | 118.8° |
N1 | C1 | C2 | H1 | 120.1° | 122.3° |
N1 | C1 | O4 | H1 | 120.0° | 122.3° |
N1 | C1 | C2 | O2 | 117.9° | 146.5° |
N1 | C1 | C2 | C3 | 126.3° | 94.8° |
C1 | N1 | N2 | N3 | 73.8° | 178.4° |
N1 | C1 | O4 | C4 | 98.2° | 78.3° |
N1 | C1 | C2 | H2 | 2.8° | 24.0° |
C2 | C1 | O4 | H1 | 120.8° | 118.9° |
C2 | C1 | N1 | N2 | 143.6° | 120.0° |
C1 | C2 | O2 | C3 | 111.5° | 114.7° |
C1 | C2 | O2 | H2 | 124.4° | 122.6° |
C1 | C2 | C3 | H2 | 123.8° | 118.7° |
C1 | C2 | C3 | O3 | 152.2° | 118.6° |
C1 | C2 | C3 | C4 | 33.9° | 0.0° |
C2 | C1 | O4 | C4 | 21.1° | 40.5° |
C1 | C2 | O2 | HO2 | 180.0° | 61.4° |
C1 | C2 | C3 | H3 | 88.9° | 118.8° |
O4 | C1 | N1 | N2 | 27.7° | 124.7° |
O4 | C1 | C2 | O2 | 125.2° | 94.7° |
O4 | C1 | C2 | C3 | 9.3° | 24.0° |
C1 | O4 | C4 | C3 | 42.4° | 40.5° |
C1 | O4 | C4 | C5 | 160.1° | 159.3° |
O4 | C1 | C2 | H2 | 114.1° | 142.8° |
C1 | O4 | C4 | H4 | 79.5° | 78.3° |
N2 | N1 | C1 | H1 | 95.4° | 2.3° |
O2 | C2 | C3 | H2 | 120.7° | 122.6° |
O2 | C2 | C3 | O3 | 92.3° | 122.7° |
O2 | C2 | C3 | C4 | 149.4° | 118.6° |
O2 | C2 | C1 | H1 | 2.2° | 24.2° |
O2 | C2 | C3 | H3 | 26.6° | 0.1° |
C2 | C3 | O3 | C4 | 111.5° | 114.7° |
C2 | C3 | O3 | H3 | 124.8° | 122.6° |
C2 | C3 | C4 | H3 | 124.1° | 118.7° |
C2 | C3 | C4 | O4 | 47.2° | 24.0° |
C2 | C3 | C4 | C5 | 158.3° | 142.8° |
C3 | C2 | C1 | H1 | 113.6° | 142.9° |
C3 | C2 | O2 | HO2 | 68.5° | 176.1° |
C2 | C3 | O3 | HO3 | 180.0° | 61.4° |
C2 | C3 | C4 | H4 | 80.1° | 94.9° |
O3 | C3 | C4 | H3 | 119.0° | 122.6° |
O3 | C3 | C4 | O4 | 164.1° | 142.6° |
O3 | C3 | C4 | C5 | 84.8° | 98.5° |
O3 | C3 | C2 | H2 | 28.4° | 0.1° |
O3 | C3 | C4 | H4 | 36.8° | 23.8° |
C3 | C4 | O4 | C5 | 117.7° | 118.8° |
C3 | C4 | O4 | H4 | 121.9° | 118.8° |
C3 | C4 | C5 | H4 | 123.6° | 122.3° |
C3 | C4 | C5 | O5 | 61.1° | 175.0° |
C4 | C3 | C2 | H2 | 89.8° | 118.7° |
C4 | C3 | O3 | HO3 | 68.5° | 176.1° |
C3 | C4 | C5 | H51 | 58.9° | 65.1° |
C3 | C4 | C5 | H52 | 178.9° | 55.0° |
O4 | C4 | C5 | H4 | 127.8° | 122.3° |
O4 | C4 | C5 | O5 | 47.5° | 69.6° |
C4 | O4 | C1 | H1 | 141.9° | 159.4° |
O4 | C4 | C3 | H3 | 76.9° | 94.7° |
O4 | C4 | C5 | H51 | 167.6° | 50.3° |
O4 | C4 | C5 | H52 | 72.5° | 170.4° |
C4 | C5 | O5 | H51 | 120.0° | 120.0° |
C4 | C5 | O5 | H52 | 120.0° | 120.0° |
C5 | C4 | C3 | H3 | 34.2° | 24.1° |
C4 | C5 | H51 | H52 | 119.7° | 120.1° |
C4 | C5 | O5 | HO5 | 180.0° | 180.0° |
O5 | C5 | C4 | H4 | 175.3° | 52.7° |
O5 | C5 | H51 | H52 | 119.7° | 120.0° |
H1 | C1 | C2 | H2 | 122.9° | 98.3° |
H2 | C2 | O2 | HO2 | 55.6° | 61.2° |
H2 | C2 | C3 | H3 | 147.3° | 122.5° |
H3 | C3 | O3 | HO3 | 55.2° | 61.2° |
H3 | C3 | C4 | H4 | 155.8° | 146.5° |
H4 | C4 | C5 | H51 | 64.6° | 172.7° |
H4 | C4 | C5 | H52 | 55.3° | 67.3° |
H51 | C5 | O5 | HO5 | 60.0° | 60.0° |
H52 | C5 | O5 | HO5 | 60.0° | 59.9° |