6HY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C4 | sing | 1.34Å | 1.28Å | |
N | C7 | sing | 1.35Å | 1.34Å | |
O1 | C7 | doub | 1.22Å | 1.20Å | |
C4 | C2 | doub | 1.38Å | 1.36Å | |
C7 | C6 | sing | 1.41Å | 1.37Å | |
O | C1 | doub | 1.21Å | 1.20Å | |
C2 | C1 | sing | 1.47Å | 1.38Å | |
C2 | C5 | sing | 1.42Å | 1.38Å | |
C6 | C5 | doub | 1.36Å | 1.37Å | |
C1 | C | sing | 1.51Å | 1.51Å | |
C | C3 | sing | 1.53Å | 1.50Å | |
C3 | C8 | sing | 1.51Å | 1.50Å | |
C8 | O2 | doub | 1.21Å | 1.22Å | |
C8 | O3 | sing | 1.34Å | 1.21Å | |
O3 | H1 | sing | 0.97Å | 0.95Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C | H4 | sing | 1.09Å | 1.10Å | |
C | H5 | sing | 1.09Å | 1.10Å | |
C5 | H6 | sing | 1.08Å | 1.08Å | |
C6 | H7 | sing | 1.08Å | 1.08Å | |
C4 | H9 | sing | 1.08Å | 1.08Å | |
N | H8 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | N | C7 | 122.5° | 121.1° |
N | C4 | C2 | 121.4° | 120.5° |
N | C4 | H9 | 119.3° | 119.8° |
C4 | N | H8 | 118.8° | 119.5° |
N | C7 | O1 | 118.9° | 119.7° |
N | C7 | C6 | 119.9° | 120.5° |
C7 | N | H8 | 118.7° | 119.4° |
O1 | C7 | C6 | 121.2° | 119.8° |
C4 | C2 | C1 | 119.9° | 120.3° |
C4 | C2 | C5 | 117.5° | 119.4° |
C2 | C4 | H9 | 119.3° | 119.8° |
C7 | C6 | C5 | 117.7° | 119.6° |
C7 | C6 | H7 | 121.1° | 120.2° |
O | C1 | C2 | 121.6° | 119.9° |
O | C1 | C | 120.2° | 120.0° |
C1 | C2 | C5 | 122.7° | 120.3° |
C2 | C1 | C | 118.2° | 120.0° |
C2 | C5 | C6 | 121.0° | 119.0° |
C2 | C5 | H6 | 119.5° | 120.5° |
C6 | C5 | H6 | 119.5° | 120.5° |
C5 | C6 | H7 | 121.2° | 120.3° |
C1 | C | C3 | 112.0° | 109.5° |
C1 | C | H4 | 108.8° | 109.5° |
C1 | C | H5 | 108.8° | 109.5° |
C | C3 | C8 | 111.5° | 109.5° |
C | C3 | H2 | 108.9° | 109.5° |
C | C3 | H3 | 109.0° | 109.4° |
C3 | C | H4 | 108.8° | 109.4° |
C3 | C | H5 | 108.8° | 109.4° |
C3 | C8 | O2 | 119.6° | 120.1° |
C3 | C8 | O3 | 114.8° | 120.0° |
C8 | C3 | H2 | 109.0° | 109.5° |
C8 | C3 | H3 | 108.9° | 109.5° |
O2 | C8 | O3 | 125.3° | 120.0° |
C8 | O3 | H1 | 109.5° | 116.9° |
H2 | C3 | H3 | 109.5° | 109.4° |
H4 | C | H5 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | N | C7 | H8 | 180.0° | 179.5° |
C4 | N | C7 | O1 | 179.6° | 179.7° |
N | C4 | C2 | H9 | 180.0° | 179.5° |
C4 | N | C7 | C6 | 1.0° | 0.2° |
N | C4 | C2 | C1 | 179.5° | 179.8° |
N | C4 | C2 | C5 | 0.3° | 0.5° |
N | C7 | O1 | C6 | 178.6° | 179.9° |
C7 | N | C4 | C2 | 0.2° | 0.5° |
N | C7 | C6 | C5 | 1.3° | 0.0° |
N | C7 | C6 | H7 | 178.7° | 180.0° |
C7 | N | C4 | H9 | 179.8° | 180.0° |
O1 | C7 | C6 | C5 | 179.9° | 179.9° |
O1 | C7 | C6 | H7 | 0.1° | 0.1° |
O1 | C7 | N | H8 | 0.3° | 0.2° |
C4 | C2 | C1 | O | 2.3° | 0.2° |
C4 | C2 | C1 | C5 | 179.8° | 179.7° |
C4 | C2 | C5 | C6 | 0.1° | 0.3° |
C4 | C2 | C1 | C | 179.7° | 179.7° |
C4 | C2 | C5 | H6 | 179.9° | 179.8° |
C2 | C4 | N | H8 | 179.8° | 180.0° |
C7 | C6 | C5 | C2 | 0.9° | 0.0° |
C7 | C6 | C5 | H7 | 180.0° | 180.0° |
C7 | C6 | C5 | H6 | 179.1° | 180.0° |
C6 | C7 | N | H8 | 178.9° | 179.7° |
O | C1 | C2 | C | 177.4° | 180.0° |
O | C1 | C2 | C5 | 177.5° | 180.0° |
O | C1 | C | C3 | 9.4° | 0.0° |
O | C1 | C | H4 | 111.0° | 120.0° |
O | C1 | C | H5 | 129.7° | 120.0° |
C1 | C2 | C5 | C6 | 179.9° | 180.0° |
C2 | C1 | C | C3 | 168.1° | 180.0° |
C2 | C1 | C | H4 | 71.5° | 60.0° |
C2 | C1 | C | H5 | 47.7° | 60.0° |
C1 | C2 | C5 | H6 | 0.1° | 0.0° |
C1 | C2 | C4 | H9 | 0.5° | 0.2° |
C2 | C5 | C6 | H6 | 180.0° | 180.0° |
C5 | C2 | C1 | C | 0.0° | 0.0° |
C2 | C5 | C6 | H7 | 179.1° | 180.0° |
C5 | C2 | C4 | H9 | 179.7° | 180.0° |
C1 | C | C3 | H4 | 120.4° | 120.0° |
C1 | C | C3 | H5 | 120.4° | 120.1° |
C1 | C | C3 | C8 | 101.2° | 180.0° |
C1 | C | C3 | H2 | 138.5° | 59.9° |
C1 | C | C3 | H3 | 19.1° | 60.0° |
C1 | C | H4 | H5 | 118.8° | 120.1° |
C | C3 | C8 | H2 | 120.3° | 120.0° |
C | C3 | C8 | H3 | 120.3° | 119.9° |
C | C3 | C8 | O2 | 53.0° | 0.1° |
C | C3 | C8 | O3 | 132.1° | 180.0° |
C | C3 | H2 | H3 | 119.1° | 119.9° |
C3 | C | H4 | H5 | 118.8° | 119.9° |
C3 | C8 | O2 | O3 | 174.3° | 179.9° |
C3 | C8 | O3 | H1 | 174.6° | 179.9° |
C8 | C3 | H2 | H3 | 119.1° | 120.1° |
C8 | C3 | C | H4 | 19.2° | 59.9° |
C8 | C3 | C | H5 | 138.5° | 60.0° |
O2 | C8 | O3 | H1 | 0.0° | 0.0° |
O2 | C8 | C3 | H2 | 173.3° | 120.0° |
O2 | C8 | C3 | H3 | 67.3° | 120.0° |
O3 | C8 | C3 | H2 | 11.8° | 60.0° |
O3 | C8 | C3 | H3 | 107.6° | 60.1° |
H2 | C3 | C | H4 | 101.1° | 180.0° |
H2 | C3 | C | H5 | 18.2° | 60.1° |
H3 | C3 | C | H4 | 139.5° | 60.1° |
H3 | C3 | C | H5 | 101.2° | 180.0° |
H6 | C5 | C6 | H7 | 0.9° | 0.0° |
H9 | C4 | N | H8 | 0.2° | 0.5° |