6SY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.22Å | 1.25Å | |
C | N1 | sing | 1.35Å | 1.32Å | |
C | C1 | sing | 1.42Å | 1.37Å | |
N1 | C8 | sing | 1.35Å | 1.35Å | |
C1 | C2 | doub | 1.35Å | 1.40Å | |
C8 | O7 | doub | 1.22Å | 1.21Å | |
C8 | N | sing | 1.35Å | 1.38Å | |
C2 | N | sing | 1.37Å | 1.35Å | |
N | C3 | sing | 1.47Å | 1.47Å | |
C3 | O1 | sing | 1.45Å | 1.46Å | |
C3 | C7 | sing | 1.55Å | 1.52Å | |
O1 | C4 | sing | 1.42Å | 1.44Å | |
C7 | O6 | sing | 1.43Å | 1.44Å | |
C7 | C6 | sing | 1.53Å | 1.52Å | |
C4 | C6 | sing | 1.55Å | 1.51Å | |
C4 | C5 | sing | 1.52Å | 1.53Å | |
C6 | O5 | sing | 1.43Å | 1.41Å | |
C5 | O2 | sing | 1.45Å | 1.47Å | |
O5 | P | sing | 1.63Å | 1.68Å | |
O3 | P | doub | 1.48Å | 1.50Å | |
O2 | P | sing | 1.62Å | 1.59Å | |
P | O4 | sing | 1.61Å | 1.52Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
O4 | H7 | sing | 0.97Å | 0.95Å | |
C1 | H8 | sing | 1.08Å | 1.08Å | |
C3 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
O6 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | N1 | 119.3° | 120.3° |
O | C | C1 | 122.4° | 120.3° |
N1 | C | C1 | 118.3° | 119.4° |
C | N1 | C8 | 122.5° | 120.3° |
C | N1 | H1 | 118.7° | 119.8° |
C | C1 | C2 | 119.5° | 119.1° |
C | C1 | H8 | 120.3° | 120.4° |
N1 | C8 | O7 | 120.0° | 119.5° |
N1 | C8 | N | 121.7° | 120.9° |
C8 | N1 | H1 | 118.8° | 119.9° |
C1 | C2 | N | 121.8° | 119.7° |
C1 | C2 | H2 | 119.1° | 120.1° |
C2 | C1 | H8 | 120.2° | 120.4° |
O7 | C8 | N | 118.2° | 119.5° |
C8 | N | C2 | 116.1° | 120.6° |
C8 | N | C3 | 121.8° | 119.7° |
C2 | N | C3 | 121.9° | 119.7° |
N | C2 | H2 | 119.1° | 120.2° |
N | C3 | O1 | 106.8° | 109.9° |
N | C3 | C7 | 114.5° | 109.9° |
N | C3 | H9 | 109.6° | 109.9° |
O1 | C3 | C7 | 107.2° | 107.1° |
C3 | O1 | C4 | 106.8° | 105.4° |
O1 | C3 | H9 | 109.7° | 109.9° |
C3 | C7 | O6 | 110.9° | 110.7° |
C3 | C7 | C6 | 101.5° | 103.3° |
C7 | C3 | H9 | 109.0° | 110.1° |
C3 | C7 | H10 | 109.7° | 110.7° |
O1 | C4 | C6 | 102.5° | 103.0° |
O1 | C4 | C5 | 118.5° | 116.6° |
O1 | C4 | H3 | 107.1° | 108.9° |
O6 | C7 | C6 | 113.8° | 110.6° |
O6 | C7 | H10 | 110.8° | 110.5° |
C7 | O6 | H11 | 109.5° | 114.0° |
C7 | C6 | C4 | 101.5° | 100.9° |
C7 | C6 | O5 | 117.1° | 114.7° |
C7 | C6 | H6 | 109.0° | 111.9° |
C6 | C7 | H10 | 109.7° | 110.8° |
C6 | C4 | C5 | 115.6° | 109.0° |
C4 | C6 | O5 | 108.8° | 106.2° |
C6 | C4 | H3 | 106.3° | 109.5° |
C4 | C6 | H6 | 109.2° | 111.4° |
C4 | C5 | O2 | 108.2° | 106.7° |
C5 | C4 | H3 | 106.0° | 109.5° |
C4 | C5 | H4 | 109.8° | 110.0° |
C4 | C5 | H5 | 109.8° | 110.0° |
C6 | O5 | P | 115.0° | 116.6° |
O5 | C6 | H6 | 110.7° | 111.2° |
C5 | O2 | P | 121.9° | 120.2° |
O2 | C5 | H4 | 109.8° | 110.0° |
O2 | C5 | H5 | 109.8° | 110.0° |
O5 | P | O3 | 107.1° | 110.0° |
O5 | P | O2 | 101.2° | 106.8° |
O5 | P | O4 | 104.3° | 110.0° |
O3 | P | O2 | 106.9° | 110.0° |
O3 | P | O4 | 118.4° | 110.0° |
O2 | P | O4 | 117.0° | 110.0° |
P | O4 | H7 | 109.5° | 114.0° |
H4 | C5 | H5 | 109.5° | 110.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | N1 | C1 | 179.2° | 179.9° |
O | C | N1 | C8 | 179.5° | 180.0° |
O | C | C1 | C2 | 179.5° | 179.4° |
O | C | N1 | H1 | 0.5° | 0.4° |
O | C | C1 | H8 | 0.5° | 0.1° |
C | N1 | C8 | H1 | 180.0° | 179.6° |
N1 | C | C1 | C2 | 0.3° | 0.5° |
C | N1 | C8 | O7 | 179.1° | 179.7° |
C | N1 | C8 | N | 0.5° | 0.3° |
N1 | C | C1 | H8 | 179.7° | 180.0° |
C1 | C | N1 | C8 | 0.2° | 0.0° |
C | C1 | C2 | H8 | 180.0° | 179.5° |
C | C1 | C2 | N | 0.7° | 0.8° |
C1 | C | N1 | H1 | 179.7° | 179.7° |
C | C1 | C2 | H2 | 179.2° | 179.7° |
N1 | C8 | O7 | N | 179.6° | 180.0° |
N1 | C8 | N | C2 | 0.8° | 0.0° |
N1 | C8 | N | C3 | 176.6° | 179.4° |
C1 | C2 | N | C8 | 0.9° | 0.6° |
C1 | C2 | N | H2 | 180.0° | 179.5° |
C1 | C2 | N | C3 | 176.7° | 180.0° |
O7 | C8 | N | C2 | 178.8° | 180.0° |
O7 | C8 | N | C3 | 3.0° | 0.6° |
O7 | C8 | N1 | H1 | 0.9° | 0.1° |
C8 | N | C2 | C3 | 175.8° | 179.4° |
C8 | N | C3 | O1 | 129.8° | 54.1° |
C8 | N | C3 | C7 | 111.7° | 63.5° |
N | C8 | N1 | H1 | 179.5° | 179.9° |
C8 | N | C2 | H2 | 179.0° | 179.9° |
C8 | N | C3 | H9 | 11.1° | 175.2° |
C2 | N | C3 | O1 | 45.7° | 126.5° |
C2 | N | C3 | C7 | 72.8° | 115.9° |
N | C2 | C1 | H8 | 179.3° | 179.7° |
C2 | N | C3 | H9 | 164.4° | 5.4° |
N | C3 | O1 | C7 | 123.2° | 119.4° |
N | C3 | O1 | H9 | 118.6° | 121.1° |
N | C3 | C7 | H9 | 123.1° | 121.2° |
N | C3 | O1 | C4 | 133.9° | 146.1° |
N | C3 | C7 | O6 | 138.0° | 123.4° |
N | C3 | C7 | C6 | 100.8° | 118.2° |
C3 | N | C2 | H2 | 3.3° | 0.5° |
N | C3 | C7 | H10 | 15.2° | 0.5° |
O1 | C3 | C7 | H9 | 118.7° | 119.5° |
O1 | C3 | C7 | O6 | 103.8° | 117.3° |
O1 | C3 | C7 | C6 | 17.4° | 1.2° |
C3 | O1 | C4 | C6 | 34.9° | 43.7° |
C3 | O1 | C4 | C5 | 163.5° | 163.0° |
C3 | O1 | C4 | H3 | 76.8° | 72.5° |
O1 | C3 | C7 | H10 | 133.4° | 119.9° |
C7 | C3 | O1 | C4 | 10.7° | 26.8° |
C3 | C7 | O6 | C6 | 113.7° | 113.9° |
C3 | C7 | O6 | H10 | 122.1° | 123.0° |
C3 | C7 | C6 | H10 | 116.0° | 118.6° |
C3 | C7 | C6 | C4 | 37.7° | 25.7° |
C3 | C7 | C6 | O5 | 155.9° | 139.4° |
C3 | C7 | C6 | H6 | 77.5° | 92.8° |
C3 | C7 | O6 | H11 | 180.0° | 61.4° |
O1 | C4 | C6 | C7 | 45.4° | 43.0° |
O1 | C4 | C6 | C5 | 130.4° | 124.4° |
O1 | C4 | C6 | H3 | 112.2° | 115.8° |
O1 | C4 | C5 | H3 | 120.2° | 124.2° |
O1 | C4 | C6 | O5 | 169.4° | 162.9° |
O1 | C4 | C5 | O2 | 172.7° | 176.9° |
O1 | C4 | C5 | H4 | 52.8° | 63.9° |
O1 | C4 | C5 | H5 | 67.5° | 57.6° |
O1 | C4 | C6 | H6 | 69.7° | 75.9° |
C4 | O1 | C3 | H9 | 107.5° | 92.8° |
O6 | C7 | C6 | H10 | 124.8° | 122.9° |
O6 | C7 | C6 | C4 | 81.5° | 92.7° |
O6 | C7 | C6 | O5 | 36.8° | 20.9° |
O6 | C7 | C6 | H6 | 163.3° | 148.7° |
O6 | C7 | C3 | H9 | 14.9° | 2.2° |
C7 | C6 | C4 | O5 | 124.1° | 119.9° |
C7 | C6 | C4 | H6 | 115.1° | 118.9° |
C7 | C6 | C4 | C5 | 175.8° | 167.5° |
C7 | C6 | O5 | H6 | 125.8° | 128.1° |
C7 | C6 | O5 | P | 176.4° | 167.9° |
C7 | C6 | C4 | H3 | 66.8° | 72.7° |
C6 | C7 | C3 | H9 | 136.1° | 120.7° |
C6 | C7 | O6 | H11 | 66.3° | 175.3° |
C6 | C4 | C5 | H3 | 117.5° | 119.8° |
C4 | C6 | O5 | H6 | 120.0° | 121.4° |
C6 | C4 | C5 | O2 | 50.4° | 67.1° |
C4 | C6 | O5 | P | 62.1° | 57.4° |
C6 | C4 | C5 | H4 | 69.5° | 52.2° |
C6 | C4 | C5 | H5 | 170.2° | 173.6° |
C4 | C6 | C7 | H10 | 153.7° | 144.3° |
C5 | C4 | C6 | O5 | 60.1° | 72.6° |
C4 | C5 | O2 | H4 | 119.8° | 119.3° |
C4 | C5 | O2 | H5 | 119.8° | 119.3° |
C4 | C5 | O2 | P | 48.1° | 49.7° |
C4 | C5 | H4 | H5 | 120.5° | 121.4° |
C5 | C4 | C6 | H6 | 60.7° | 48.6° |
C6 | O5 | P | O3 | 58.3° | 81.3° |
C6 | O5 | P | O2 | 53.5° | 38.0° |
C6 | O5 | P | O4 | 175.3° | 157.3° |
O5 | C6 | C4 | H3 | 57.2° | 47.2° |
O5 | C6 | C7 | H10 | 88.1° | 102.0° |
C5 | O2 | P | O5 | 47.1° | 34.1° |
C5 | O2 | P | O3 | 64.8° | 85.3° |
C5 | O2 | P | O4 | 159.7° | 153.4° |
O2 | C5 | C4 | H3 | 67.1° | 52.7° |
O2 | C5 | H4 | H5 | 120.6° | 121.4° |
O5 | P | O3 | O2 | 107.8° | 117.4° |
O5 | P | O3 | O4 | 117.5° | 121.3° |
O5 | P | O2 | O4 | 112.6° | 119.3° |
P | O5 | C6 | H6 | 57.8° | 64.0° |
O5 | P | O4 | H7 | 118.9° | 177.4° |
O3 | P | O2 | O4 | 135.4° | 121.3° |
O3 | P | O4 | H7 | 0.0° | 61.2° |
P | O2 | C5 | H4 | 71.7° | 69.5° |
P | O2 | C5 | H5 | 167.9° | 169.1° |
O2 | P | O4 | H7 | 130.3° | 60.1° |
H2 | C2 | C1 | H8 | 0.7° | 0.2° |
H3 | C4 | C5 | H4 | 173.1° | 172.0° |
H3 | C4 | C5 | H5 | 52.7° | 66.6° |
H3 | C4 | C6 | H6 | 178.1° | 168.4° |
H6 | C6 | C7 | H10 | 38.5° | 25.8° |
H9 | C3 | C7 | H10 | 107.9° | 120.7° |
H10 | C7 | O6 | H11 | 57.9° | 61.6° |