LNS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C8 | doub | 1.21Å | 1.24Å | |
C8 | O2 | sing | 1.35Å | 1.24Å | |
C8 | C7 | sing | 1.48Å | 1.51Å | |
C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
C7 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
N2 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
C3 | C2 | sing | 1.48Å | 1.51Å | |
C2 | N1 | sing | 1.35Å | 1.33Å | |
C2 | O1 | doub | 1.21Å | 1.23Å | |
N1 | C1 | sing | 1.47Å | 1.45Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C1 | H6 | sing | 1.09Å | 1.10Å | |
C1 | H7 | sing | 1.09Å | 1.10Å | |
O2 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C8 | O2 | 126.2° | 120.0° |
O3 | C8 | C7 | 117.2° | 120.0° |
O2 | C8 | C7 | 116.6° | 120.0° |
C8 | O2 | H8 | 109.5° | 117.0° |
C8 | C7 | C6 | 119.6° | 119.7° |
C8 | C7 | N2 | 117.0° | 119.6° |
C7 | C6 | C5 | 118.2° | 119.2° |
C6 | C7 | N2 | 123.3° | 120.7° |
C7 | C6 | H4 | 120.9° | 120.4° |
C6 | C5 | C4 | 119.5° | 118.5° |
C6 | C5 | H3 | 120.3° | 120.8° |
C5 | C6 | H4 | 120.9° | 120.4° |
C7 | N2 | C3 | 117.5° | 121.5° |
C5 | C4 | C3 | 118.9° | 119.3° |
C5 | C4 | H2 | 120.6° | 120.4° |
C4 | C5 | H3 | 120.2° | 120.7° |
N2 | C3 | C4 | 122.6° | 120.7° |
N2 | C3 | C2 | 118.1° | 119.7° |
C4 | C3 | C2 | 119.3° | 119.6° |
C3 | C4 | H2 | 120.6° | 120.3° |
C3 | C2 | N1 | 116.8° | 120.0° |
C3 | C2 | O1 | 120.5° | 120.0° |
N1 | C2 | O1 | 122.8° | 120.0° |
C2 | N1 | C1 | 122.5° | 120.0° |
C2 | N1 | H1 | 118.8° | 120.0° |
C1 | N1 | H1 | 118.7° | 120.0° |
N1 | C1 | H5 | 109.5° | 109.5° |
N1 | C1 | H6 | 109.5° | 109.4° |
N1 | C1 | H7 | 109.5° | 109.4° |
H5 | C1 | H6 | 109.5° | 109.5° |
H5 | C1 | H7 | 109.4° | 109.5° |
H6 | C1 | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C8 | O2 | C7 | 178.9° | 180.0° |
O3 | C8 | C7 | C6 | 1.7° | 0.0° |
O3 | C8 | C7 | N2 | 178.8° | 180.0° |
O3 | C8 | O2 | H8 | 0.0° | 0.0° |
O2 | C8 | C7 | C6 | 177.3° | 179.9° |
O2 | C8 | C7 | N2 | 2.2° | 0.0° |
C8 | C7 | C6 | N2 | 179.5° | 179.9° |
C8 | C7 | C6 | C5 | 179.2° | 180.0° |
C8 | C7 | N2 | C3 | 178.8° | 180.0° |
C8 | C7 | C6 | H4 | 0.8° | 0.0° |
C7 | C8 | O2 | H8 | 178.9° | 180.0° |
C7 | C6 | C5 | H4 | 180.0° | 180.0° |
C7 | C6 | C5 | C4 | 0.4° | 0.0° |
C6 | C7 | N2 | C3 | 0.7° | 0.1° |
C7 | C6 | C5 | H3 | 179.6° | 180.0° |
C5 | C6 | C7 | N2 | 0.3° | 0.1° |
C6 | C5 | C4 | H3 | 180.0° | 180.0° |
C6 | C5 | C4 | C3 | 0.6° | 0.0° |
C6 | C5 | C4 | H2 | 179.4° | 179.7° |
C7 | N2 | C3 | C4 | 0.5° | 0.0° |
C7 | N2 | C3 | C2 | 178.8° | 179.7° |
N2 | C7 | C6 | H4 | 179.7° | 180.0° |
C5 | C4 | C3 | N2 | 0.2° | 0.1° |
C5 | C4 | C3 | H2 | 180.0° | 179.8° |
C5 | C4 | C3 | C2 | 179.4° | 179.7° |
C4 | C5 | C6 | H4 | 179.6° | 180.0° |
N2 | C3 | C4 | C2 | 179.2° | 179.7° |
N2 | C3 | C2 | N1 | 0.8° | 0.3° |
N2 | C3 | C2 | O1 | 179.9° | 179.7° |
N2 | C3 | C4 | H2 | 179.8° | 179.7° |
C4 | C3 | C2 | N1 | 178.5° | 180.0° |
C4 | C3 | C2 | O1 | 0.6° | 0.1° |
C3 | C4 | C5 | H3 | 179.4° | 180.0° |
C3 | C2 | N1 | O1 | 179.1° | 179.9° |
C3 | C2 | N1 | C1 | 176.7° | 180.0° |
C3 | C2 | N1 | H1 | 3.3° | 0.3° |
C2 | C3 | C4 | H2 | 0.6° | 0.0° |
C2 | N1 | C1 | H1 | 180.0° | 179.7° |
C2 | N1 | C1 | H5 | 180.0° | 59.6° |
C2 | N1 | C1 | H6 | 60.0° | 60.4° |
C2 | N1 | C1 | H7 | 60.0° | 179.7° |
O1 | C2 | N1 | C1 | 2.4° | 0.1° |
O1 | C2 | N1 | H1 | 177.6° | 179.7° |
N1 | C1 | H5 | H6 | 120.0° | 119.9° |
N1 | C1 | H5 | H7 | 120.0° | 120.0° |
N1 | C1 | H6 | H7 | 120.0° | 119.9° |
H1 | N1 | C1 | H5 | 0.0° | 120.0° |
H1 | N1 | C1 | H6 | 120.0° | 120.0° |
H1 | N1 | C1 | H7 | 120.0° | 0.0° |
H2 | C4 | C5 | H3 | 0.6° | 0.3° |
H3 | C5 | C6 | H4 | 0.3° | 0.0° |
H5 | C1 | H6 | H7 | 119.9° | 120.1° |