RNO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C1 | N1 | sing | 1.48Å | 1.50Å | |
C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
C4 | C7 | sing | 1.51Å | 1.50Å | |
C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.45Å | |
C7 | O3 | sing | 1.43Å | 1.44Å | |
C7 | H7 | sing | 1.09Å | 1.12Å | |
C8 | O3 | sing | 1.43Å | 1.43Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
N1 | O1 | sing | 1.22Å | 1.23Å | |
N1 | O2 | doub | 1.22Å | 1.23Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 121.1° | 120.0° |
C2 | C1 | N1 | 119.2° | 120.0° |
C1 | C2 | C3 | 118.4° | 120.0° |
C1 | C2 | H2 | 120.3° | 120.0° |
C6 | C1 | N1 | 119.8° | 120.0° |
C1 | C6 | C5 | 119.6° | 120.0° |
C1 | C6 | H6 | 120.0° | 120.0° |
C1 | N1 | O1 | 118.6° | 120.0° |
C1 | N1 | O2 | 118.7° | 120.0° |
C3 | C2 | H2 | 121.2° | 120.0° |
C2 | C3 | C4 | 122.0° | 120.0° |
C2 | C3 | H3 | 118.8° | 120.0° |
C4 | C3 | H3 | 119.2° | 120.0° |
C3 | C4 | C5 | 118.5° | 120.0° |
C3 | C4 | C7 | 121.5° | 120.0° |
C5 | C4 | C7 | 120.0° | 120.0° |
C4 | C5 | C6 | 120.3° | 120.0° |
C4 | C5 | H5 | 119.6° | 119.9° |
C4 | C7 | C8 | 123.5° | 117.8° |
C4 | C7 | O3 | 115.3° | 117.8° |
C4 | C7 | H7 | 90.8° | 115.7° |
C6 | C5 | H5 | 120.0° | 120.0° |
C5 | C6 | H6 | 120.4° | 120.0° |
C8 | C7 | O3 | 59.4° | 57.7° |
C8 | C7 | H7 | 131.9° | 117.8° |
C7 | C8 | O3 | 60.0° | 57.5° |
C7 | C8 | H81 | 135.0° | 117.7° |
C7 | C8 | H82 | 135.0° | 117.8° |
O3 | C7 | H7 | 138.9° | 117.8° |
C7 | O3 | C8 | 60.6° | 64.7° |
O3 | C8 | H81 | 135.0° | 117.8° |
O3 | C8 | H82 | 135.0° | 117.8° |
H81 | C8 | H82 | 70.5° | 115.8° |
O1 | N1 | O2 | 122.7° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | N1 | 179.8° | 179.6° |
C1 | C2 | C3 | H2 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 0.2° | 0.1° |
C1 | C2 | C3 | H3 | 179.8° | 180.0° |
C2 | C1 | C6 | C5 | 0.1° | 0.6° |
C2 | C1 | C6 | H6 | 179.9° | 179.9° |
C2 | C1 | N1 | O1 | 0.1° | 0.0° |
C2 | C1 | N1 | O2 | 179.9° | 179.8° |
C6 | C1 | C2 | C3 | 0.0° | 0.4° |
C6 | C1 | C2 | H2 | 180.0° | 179.8° |
C1 | C6 | C5 | C4 | 0.0° | 0.5° |
C1 | C6 | C5 | H6 | 180.0° | 179.5° |
C1 | C6 | C5 | H5 | 179.9° | 179.7° |
C6 | C1 | N1 | O1 | 179.9° | 179.7° |
C6 | C1 | N1 | O2 | 0.0° | 0.6° |
N1 | C1 | C2 | C3 | 179.8° | 180.0° |
N1 | C1 | C2 | H2 | 0.2° | 0.1° |
N1 | C1 | C6 | C5 | 179.8° | 179.8° |
N1 | C1 | C6 | H6 | 0.3° | 0.3° |
C1 | N1 | O1 | O2 | 179.9° | 179.7° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 0.3° | 0.0° |
C2 | C3 | C4 | C7 | 179.3° | 180.0° |
H2 | C2 | C3 | C4 | 179.8° | 179.9° |
H2 | C2 | C3 | H3 | 0.2° | 0.1° |
C3 | C4 | C5 | C7 | 179.6° | 180.0° |
C3 | C4 | C5 | C6 | 0.2° | 0.2° |
C3 | C4 | C5 | H5 | 179.8° | 180.0° |
C3 | C4 | C7 | C8 | 38.9° | 96.3° |
C3 | C4 | C7 | O3 | 29.9° | 162.5° |
C3 | C4 | C7 | H7 | 177.0° | 50.5° |
H3 | C3 | C4 | C5 | 179.7° | 179.9° |
H3 | C3 | C4 | C7 | 0.7° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.8° |
C4 | C5 | C6 | H6 | 180.0° | 180.0° |
C5 | C4 | C7 | C8 | 141.5° | 83.7° |
C5 | C4 | C7 | O3 | 149.7° | 17.5° |
C5 | C4 | C7 | H7 | 2.5° | 129.4° |
C7 | C4 | C5 | C6 | 179.4° | 179.8° |
C7 | C4 | C5 | H5 | 0.7° | 0.0° |
C4 | C7 | C8 | O3 | 101.8° | 106.9° |
C4 | C7 | C8 | H7 | 128.0° | 146.2° |
C4 | C7 | O3 | H7 | 124.4° | 146.3° |
C4 | C7 | C8 | H81 | 23.5° | 0.1° |
C4 | C7 | C8 | H82 | 133.0° | 146.3° |
H5 | C5 | C6 | H6 | 0.0° | 0.2° |
C8 | C7 | O3 | H7 | 120.1° | 106.9° |
C7 | C8 | O3 | H81 | 125.2° | 106.7° |
C7 | C8 | O3 | H82 | 125.2° | 106.8° |
C7 | C8 | H81 | H82 | 135.0° | 147.0° |
H7 | C7 | C8 | H81 | 104.5° | 146.2° |
H7 | C7 | C8 | H82 | 5.0° | 0.1° |
O3 | C8 | H81 | H82 | 135.1° | 147.1° |