9MG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | sing | 1.46Å | 1.48Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
C1 | H13 | sing | 1.09Å | 1.11Å | |
N2 | C3 | sing | 1.36Å | 1.38Å | Aromatic |
N2 | C12 | sing | 1.37Å | 1.40Å | Aromatic |
C3 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
N4 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
C5 | C12 | doub | 1.41Å | 1.43Å | Aromatic |
C6 | O7 | sing | 1.35Å | 1.37Å | |
C6 | N8 | doub | 1.33Å | 1.38Å | Aromatic |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
N8 | C9 | sing | 1.33Å | 1.38Å | Aromatic |
C9 | N10 | sing | 1.38Å | 1.40Å | |
C9 | N11 | doub | 1.32Å | 1.35Å | Aromatic |
N10 | H101 | sing | 0.97Å | 1.02Å | |
N10 | H102 | sing | 0.97Å | 1.02Å | |
N11 | C12 | sing | 1.33Å | 1.36Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C1 | H11 | 127.2° | 109.5° |
N2 | C1 | H12 | 106.0° | 109.5° |
N2 | C1 | H13 | 106.0° | 109.5° |
C1 | N2 | C3 | 127.3° | 126.3° |
C1 | N2 | C12 | 124.9° | 126.3° |
H11 | C1 | H12 | 105.9° | 109.4° |
H11 | C1 | H13 | 106.0° | 109.4° |
H12 | C1 | H13 | 103.4° | 109.4° |
C3 | N2 | C12 | 107.9° | 107.4° |
N2 | C3 | N4 | 110.4° | 110.0° |
N2 | C3 | H3 | 126.5° | 125.0° |
N2 | C12 | C5 | 106.0° | 106.0° |
N2 | C12 | N11 | 133.3° | 134.8° |
N4 | C3 | H3 | 123.1° | 125.0° |
C3 | N4 | C5 | 108.8° | 109.4° |
N4 | C5 | C6 | 135.6° | 134.6° |
N4 | C5 | C12 | 106.9° | 107.1° |
C6 | C5 | C12 | 117.5° | 118.3° |
C5 | C6 | O7 | 120.2° | 120.7° |
C5 | C6 | N8 | 119.0° | 118.6° |
C5 | C12 | N11 | 120.7° | 119.1° |
O7 | C6 | N8 | 120.7° | 120.7° |
C6 | O7 | HO7 | 120.2° | 106.8° |
C6 | N8 | C9 | 121.3° | 121.2° |
N8 | C9 | N10 | 120.2° | 118.9° |
N8 | C9 | N11 | 120.3° | 122.2° |
N10 | C9 | N11 | 119.5° | 118.9° |
C9 | N10 | H101 | 120.2° | 120.0° |
C9 | N10 | H102 | 108.4° | 120.0° |
C9 | N11 | C12 | 121.2° | 120.6° |
H101 | N10 | H102 | 108.3° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | H11 | H12 | 125.2° | 120.0° |
N2 | C1 | H11 | H13 | 125.3° | 120.1° |
N2 | C1 | H12 | H13 | 111.3° | 120.0° |
C1 | N2 | C3 | C12 | 180.0° | 179.7° |
C1 | N2 | C3 | N4 | 179.7° | 180.0° |
C1 | N2 | C3 | H3 | 0.2° | 0.1° |
C1 | N2 | C12 | C5 | 179.5° | 179.9° |
C1 | N2 | C12 | N11 | 0.1° | 0.7° |
H11 | C1 | H12 | H13 | 111.3° | 119.9° |
H11 | C1 | N2 | C3 | 179.9° | 90.1° |
H11 | C1 | N2 | C12 | 0.0° | 90.3° |
H12 | C1 | N2 | C3 | 54.7° | 149.9° |
H12 | C1 | N2 | C12 | 125.2° | 29.7° |
H13 | C1 | N2 | C3 | 54.7° | 30.0° |
H13 | C1 | N2 | C12 | 125.3° | 149.7° |
N2 | C3 | N4 | H3 | 179.9° | 179.9° |
N2 | C3 | N4 | C5 | 0.0° | 0.1° |
C3 | N2 | C12 | C5 | 0.4° | 0.4° |
C3 | N2 | C12 | N11 | 180.0° | 179.6° |
C12 | N2 | C3 | N4 | 0.3° | 0.3° |
C12 | N2 | C3 | H3 | 179.8° | 179.8° |
N2 | C12 | C5 | N4 | 0.5° | 0.4° |
N2 | C12 | C5 | C6 | 179.4° | 179.8° |
N2 | C12 | C5 | N11 | 179.7° | 179.3° |
N2 | C12 | N11 | C9 | 180.0° | 179.6° |
C3 | N4 | C5 | C6 | 179.5° | 180.0° |
C3 | N4 | C5 | C12 | 0.3° | 0.2° |
H3 | C3 | N4 | C5 | 179.9° | 180.0° |
N4 | C5 | C6 | C12 | 179.8° | 179.8° |
N4 | C5 | C6 | O7 | 0.2° | 0.0° |
N4 | C5 | C6 | N8 | 179.6° | 180.0° |
N4 | C5 | C12 | N11 | 179.9° | 179.7° |
C5 | C6 | O7 | N8 | 179.4° | 180.0° |
C5 | C6 | O7 | HO7 | 179.9° | 90.0° |
C5 | C6 | N8 | C9 | 0.4° | 0.0° |
C6 | C5 | C12 | N11 | 0.2° | 0.5° |
C12 | C5 | C6 | O7 | 180.0° | 179.7° |
C12 | C5 | C6 | N8 | 0.6° | 0.2° |
C5 | C12 | N11 | C9 | 0.4° | 0.5° |
O7 | C6 | N8 | C9 | 179.7° | 179.9° |
N8 | C6 | O7 | HO7 | 0.7° | 89.9° |
C6 | N8 | C9 | N10 | 179.6° | 180.0° |
C6 | N8 | C9 | N11 | 0.3° | 0.1° |
N8 | C9 | N10 | N11 | 179.9° | 179.9° |
N8 | C9 | N10 | H101 | 179.9° | 0.2° |
N8 | C9 | N10 | H102 | 54.7° | 180.0° |
N8 | C9 | N11 | C12 | 0.7° | 0.3° |
C9 | N10 | H101 | H102 | 125.2° | 179.9° |
N10 | C9 | N11 | C12 | 179.2° | 179.8° |
N11 | C9 | N10 | H101 | 0.2° | 180.0° |
N11 | C9 | N10 | H102 | 125.4° | 0.1° |