YZM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.35Å | 1.36Å | |
C1 | O1 | doub | 1.22Å | 1.25Å | |
C1 | N2 | sing | 1.35Å | 1.39Å | |
N2 | C2 | sing | 1.35Å | 1.38Å | |
C2 | O2 | doub | 1.22Å | 1.22Å | |
C2 | C3 | sing | 1.48Å | 1.52Å | |
C3 | C4 | doub | 1.40Å | 1.46Å | Aromatic |
C3 | C8 | sing | 1.40Å | 1.45Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.45Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.44Å | Aromatic |
N1 | H11N | sing | 0.97Å | 1.00Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
N2 | H21N | sing | 0.97Å | 1.00Å | |
C4 | H41 | sing | 1.08Å | 1.08Å | |
C5 | H51 | sing | 1.08Å | 1.08Å | |
C6 | H61 | sing | 1.08Å | 1.08Å | |
C7 | H71 | sing | 1.08Å | 1.08Å | |
C8 | H81 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C1 | O1 | 117.7° | 119.9° |
N1 | C1 | N2 | 121.6° | 120.0° |
C1 | N1 | H11N | 120.0° | 120.0° |
C1 | N1 | H2 | 120.0° | 120.0° |
O1 | C1 | N2 | 120.7° | 120.0° |
C1 | N2 | C2 | 126.5° | 120.0° |
C1 | N2 | H21N | 116.7° | 120.0° |
N2 | C2 | O2 | 122.5° | 120.0° |
N2 | C2 | C3 | 122.1° | 120.0° |
C2 | N2 | H21N | 116.7° | 120.0° |
O2 | C2 | C3 | 115.4° | 120.0° |
C2 | C3 | C4 | 121.3° | 120.1° |
C2 | C3 | C8 | 119.7° | 120.1° |
C4 | C3 | C8 | 119.0° | 119.7° |
C3 | C4 | C5 | 120.9° | 119.9° |
C3 | C4 | H41 | 119.6° | 120.1° |
C3 | C8 | C7 | 119.9° | 119.8° |
C3 | C8 | H81 | 120.0° | 120.1° |
C4 | C5 | C6 | 119.8° | 120.1° |
C5 | C4 | H41 | 119.6° | 120.0° |
C4 | C5 | H51 | 120.1° | 120.0° |
C5 | C6 | C7 | 120.0° | 120.3° |
C6 | C5 | H51 | 120.1° | 119.9° |
C5 | C6 | H61 | 120.0° | 119.9° |
C6 | C7 | C8 | 120.3° | 120.1° |
C7 | C6 | H61 | 120.0° | 119.8° |
C6 | C7 | H71 | 119.8° | 119.9° |
C8 | C7 | H71 | 119.8° | 119.9° |
C7 | C8 | H81 | 120.0° | 120.0° |
H11N | N1 | H2 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | O1 | N2 | 177.7° | 179.9° |
N1 | C1 | N2 | C2 | 1.8° | 180.0° |
C1 | N1 | H11N | H2 | 180.0° | 179.8° |
N1 | C1 | N2 | H21N | 178.2° | 0.1° |
O1 | C1 | N2 | C2 | 179.3° | 0.1° |
O1 | C1 | N1 | H11N | 0.0° | 0.0° |
O1 | C1 | N1 | H2 | 180.0° | 179.7° |
O1 | C1 | N2 | H21N | 0.6° | 180.0° |
C1 | N2 | C2 | H21N | 180.0° | 179.9° |
C1 | N2 | C2 | O2 | 1.3° | 0.1° |
C1 | N2 | C2 | C3 | 179.6° | 180.0° |
N2 | C1 | N1 | H11N | 177.7° | 180.0° |
N2 | C1 | N1 | H2 | 2.3° | 0.2° |
N2 | C2 | O2 | C3 | 179.2° | 180.0° |
N2 | C2 | C3 | C4 | 179.5° | 180.0° |
N2 | C2 | C3 | C8 | 1.1° | 0.3° |
O2 | C2 | C3 | C4 | 0.3° | 0.0° |
O2 | C2 | C3 | C8 | 179.7° | 179.8° |
O2 | C2 | N2 | H21N | 178.7° | 180.0° |
C2 | C3 | C4 | C8 | 179.4° | 179.8° |
C2 | C3 | C4 | C5 | 179.6° | 180.0° |
C2 | C3 | C8 | C7 | 179.6° | 179.7° |
C3 | C2 | N2 | H21N | 0.4° | 0.0° |
C2 | C3 | C4 | H41 | 0.4° | 0.0° |
C2 | C3 | C8 | H81 | 0.5° | 0.0° |
C3 | C4 | C5 | H41 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 1.1° | 0.0° |
C4 | C3 | C8 | C7 | 1.0° | 0.6° |
C3 | C4 | C5 | H51 | 178.9° | 180.0° |
C4 | C3 | C8 | H81 | 178.9° | 179.8° |
C8 | C3 | C4 | C5 | 1.0° | 0.2° |
C3 | C8 | C7 | C6 | 1.3° | 0.6° |
C3 | C8 | C7 | H81 | 180.0° | 179.7° |
C8 | C3 | C4 | H41 | 179.0° | 179.8° |
C3 | C8 | C7 | H71 | 178.7° | 179.7° |
C4 | C5 | C6 | H51 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 1.4° | 0.0° |
C4 | C5 | C6 | H61 | 178.6° | 180.0° |
C5 | C6 | C7 | H61 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 1.5° | 0.3° |
C6 | C5 | C4 | H41 | 178.8° | 180.0° |
C5 | C6 | C7 | H71 | 178.5° | 180.0° |
C6 | C7 | C8 | H71 | 180.0° | 179.7° |
C7 | C6 | C5 | H51 | 178.6° | 180.0° |
C6 | C7 | C8 | H81 | 178.7° | 179.7° |
C8 | C7 | C6 | H61 | 178.5° | 179.7° |
H41 | C4 | C5 | H51 | 1.1° | 0.0° |
H51 | C5 | C6 | H61 | 1.4° | 0.0° |
H61 | C6 | C7 | H71 | 1.5° | 0.0° |
H71 | C7 | C8 | H81 | 1.3° | 0.0° |