9RN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.42Å | |
C6 | C5 | sing | 1.55Å | 1.51Å | |
C6 | O3 | sing | 1.43Å | 1.46Å | |
C5 | C4 | sing | 1.56Å | 1.51Å | |
C5 | O5 | sing | 1.45Å | 1.47Å | |
C4 | C3 | sing | 1.55Å | 1.49Å | |
O3 | C3 | sing | 1.44Å | 1.45Å | |
O5 | C1 | sing | 1.43Å | 1.44Å | |
C3 | C2 | sing | 1.54Å | 1.53Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C2 | O2 | sing | 1.43Å | 1.46Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
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) |
O4 | C4 | C5 | 112.8° | 111.5° |
O4 | C4 | C3 | 105.4° | 111.4° |
O4 | C4 | H4 | 113.6° | 111.3° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C5 | C6 | O3 | 101.9° | 107.1° |
C6 | C5 | C4 | 106.2° | 101.7° |
C6 | C5 | O5 | 109.4° | 106.7° |
C6 | C5 | H5 | 112.4° | 114.5° |
C5 | C6 | H61 | 111.3° | 109.9° |
C5 | C6 | H62 | 111.3° | 109.9° |
C6 | O3 | C3 | 110.4° | 109.4° |
O3 | C6 | H61 | 111.3° | 110.0° |
O3 | C6 | H62 | 111.3° | 109.9° |
C4 | C5 | O5 | 102.6° | 106.0° |
C5 | C4 | C3 | 99.3° | 99.3° |
C5 | C4 | H4 | 112.2° | 111.4° |
C4 | C5 | H5 | 112.5° | 113.6° |
C5 | O5 | C1 | 116.8° | 113.2° |
O5 | C5 | H5 | 113.0° | 113.4° |
C4 | C3 | O3 | 103.5° | 104.3° |
C4 | C3 | C2 | 108.9° | 106.0° |
C3 | C4 | H4 | 112.4° | 111.4° |
C4 | C3 | H3 | 111.7° | 112.8° |
O3 | C3 | C2 | 109.2° | 107.0° |
O3 | C3 | H3 | 112.3° | 113.4° |
O5 | C1 | C2 | 110.0° | 110.5° |
O5 | C1 | O1 | 109.9° | 109.3° |
O5 | C1 | H1 | 109.1° | 109.3° |
C3 | C2 | C1 | 109.1° | 108.8° |
C3 | C2 | O2 | 116.9° | 109.6° |
C3 | C2 | H2 | 105.4° | 109.6° |
C2 | C3 | H3 | 111.0° | 112.7° |
C2 | C1 | O1 | 110.4° | 109.3° |
C1 | C2 | O2 | 112.7° | 109.6° |
C1 | C2 | H2 | 105.6° | 109.6° |
C2 | C1 | H1 | 108.2° | 109.3° |
O1 | C1 | H1 | 109.2° | 109.2° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O2 | C2 | H2 | 106.2° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
H61 | C6 | H62 | 109.5° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C5 | C6 | 70.3° | 79.2° |
O4 | C4 | C5 | C3 | 111.2° | 117.5° |
O4 | C4 | C5 | H4 | 129.9° | 125.0° |
O4 | C4 | C5 | O5 | 174.8° | 169.5° |
O4 | C4 | C3 | H4 | 124.3° | 124.9° |
O4 | C4 | C3 | O3 | 76.3° | 76.3° |
O4 | C4 | C3 | C2 | 167.6° | 170.9° |
O4 | C4 | C5 | H5 | 53.0° | 44.3° |
O4 | C4 | C3 | H3 | 44.7° | 47.2° |
C5 | C6 | O3 | H61 | 118.8° | 119.4° |
C5 | C6 | O3 | H62 | 118.8° | 119.3° |
C6 | C5 | C4 | O5 | 114.8° | 111.3° |
C6 | C5 | C4 | H5 | 123.4° | 123.5° |
C6 | C5 | O5 | H5 | 126.1° | 126.9° |
C6 | C5 | C4 | C3 | 40.8° | 38.4° |
C5 | C6 | O3 | C3 | 1.9° | 2.6° |
C6 | C5 | O5 | C1 | 45.7° | 39.7° |
C6 | C5 | C4 | H4 | 159.8° | 155.8° |
C5 | C6 | H61 | H62 | 123.5° | 121.1° |
O3 | C6 | C5 | C4 | 24.7° | 23.7° |
O3 | C6 | C5 | O5 | 85.4° | 87.0° |
C6 | O3 | C3 | C4 | 27.6° | 28.2° |
C6 | O3 | C3 | C2 | 88.2° | 83.9° |
O3 | C6 | C5 | H5 | 148.1° | 146.7° |
O3 | C6 | H61 | H62 | 123.5° | 121.2° |
C6 | O3 | C3 | H3 | 148.2° | 151.2° |
C4 | C5 | O5 | H5 | 121.4° | 125.3° |
C5 | C4 | C3 | H4 | 118.8° | 117.5° |
C5 | C4 | C3 | O3 | 40.7° | 41.3° |
C4 | C5 | O5 | C1 | 66.8° | 68.1° |
C5 | C4 | C3 | C2 | 75.5° | 71.5° |
C4 | C5 | C6 | H61 | 143.5° | 143.2° |
C4 | C5 | C6 | H62 | 94.1° | 95.6° |
C5 | C4 | O4 | HO4 | 180.0° | 70.0° |
C5 | C4 | C3 | H3 | 161.6° | 164.7° |
O5 | C5 | C4 | C3 | 74.0° | 72.9° |
C5 | O5 | C1 | C2 | 49.9° | 55.6° |
C5 | O5 | C1 | O1 | 171.6° | 175.9° |
O5 | C5 | C4 | H4 | 44.9° | 44.5° |
O5 | C5 | C6 | H61 | 33.3° | 32.4° |
O5 | C5 | C6 | H62 | 155.8° | 153.6° |
C5 | O5 | C1 | H1 | 68.7° | 64.6° |
C4 | C3 | O3 | C2 | 115.9° | 112.1° |
C4 | C3 | O3 | H3 | 120.5° | 123.0° |
C4 | C3 | C2 | H3 | 123.3° | 123.8° |
C4 | C3 | C2 | C1 | 60.0° | 62.9° |
C4 | C3 | C2 | O2 | 69.3° | 56.9° |
C4 | C3 | C2 | H2 | 173.0° | 177.2° |
C3 | C4 | C5 | H5 | 164.2° | 161.8° |
C3 | C4 | O4 | HO4 | 72.7° | 180.0° |
O3 | C3 | C2 | H3 | 124.3° | 125.3° |
O3 | C3 | C2 | C1 | 52.3° | 47.9° |
O3 | C3 | C2 | O2 | 178.3° | 167.7° |
O3 | C3 | C2 | H2 | 60.7° | 72.0° |
O3 | C3 | C4 | H4 | 159.5° | 158.9° |
C3 | O3 | C6 | H61 | 116.9° | 116.8° |
C3 | O3 | C6 | H62 | 120.6° | 121.9° |
O5 | C1 | C2 | C3 | 42.9° | 51.9° |
O5 | C1 | C2 | O1 | 121.4° | 120.3° |
O5 | C1 | C2 | H1 | 119.2° | 120.3° |
O5 | C1 | O1 | H1 | 119.6° | 119.5° |
O5 | C1 | C2 | O2 | 88.7° | 67.9° |
O5 | C1 | C2 | H2 | 155.7° | 171.8° |
C1 | O5 | C5 | H5 | 171.8° | 166.6° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
C3 | C2 | C1 | O2 | 131.6° | 119.8° |
C3 | C2 | C1 | H2 | 112.8° | 119.9° |
C3 | C2 | C1 | O1 | 164.3° | 172.2° |
C3 | C2 | O2 | H2 | 117.2° | 120.3° |
C2 | C3 | C4 | H4 | 43.4° | 46.0° |
C3 | C2 | O2 | HO2 | 180.0° | 179.7° |
C3 | C2 | C1 | H1 | 76.3° | 68.4° |
C2 | C1 | O1 | H1 | 118.8° | 119.5° |
C1 | C2 | O2 | H2 | 115.2° | 120.4° |
C1 | C2 | C3 | H3 | 176.7° | 173.3° |
C1 | C2 | O2 | HO2 | 52.4° | 60.4° |
C2 | C1 | O1 | HO1 | 58.5° | 179.0° |
O1 | C1 | C2 | O2 | 32.7° | 52.4° |
O1 | C1 | C2 | H2 | 82.8° | 67.9° |
O2 | C2 | C3 | H3 | 54.0° | 66.9° |
O2 | C2 | C1 | H1 | 152.2° | 171.8° |
H2 | C2 | C3 | H3 | 63.6° | 53.4° |
H2 | C2 | O2 | HO2 | 62.8° | 60.0° |
H2 | C2 | C1 | H1 | 36.6° | 51.5° |
H4 | C4 | C5 | H5 | 76.8° | 80.7° |
H4 | C4 | O4 | HO4 | 50.9° | 55.1° |
H4 | C4 | C3 | H3 | 79.6° | 77.7° |
H5 | C5 | C6 | H61 | 93.1° | 93.9° |
H5 | C5 | C6 | H62 | 29.3° | 27.3° |
H1 | C1 | O1 | HO1 | 60.3° | 59.5° |