Z19
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | N2 | sing | 1.28Å | 1.36Å | Aromatic |
N1 | C5 | doub | 1.32Å | 1.32Å | Aromatic |
N2 | C3 | sing | 1.37Å | 1.38Å | Aromatic |
C3 | C4 | doub | 1.41Å | 1.45Å | Aromatic |
C3 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
C4 | C5 | sing | 1.47Å | 1.45Å | Aromatic |
C4 | C13 | sing | 1.39Å | 1.44Å | Aromatic |
C5 | C6 | sing | 1.47Å | 1.50Å | |
C6 | N7 | sing | 1.35Å | 1.33Å | |
C6 | O9 | doub | 1.22Å | 1.24Å | |
N7 | N8 | sing | 1.37Å | 1.39Å | |
C10 | C11 | doub | 1.37Å | 1.43Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
C12 | C13 | doub | 1.37Å | 1.44Å | Aromatic |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N7 | HN7 | sing | 0.97Å | 1.00Å | |
N8 | HN8 | sing | 1.01Å | 1.00Å | |
N8 | HN8A | sing | 1.01Å | 1.00Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | N1 | C5 | 106.5° | 111.9° |
N1 | N2 | C3 | 113.8° | 111.3° |
N1 | N2 | HN2 | 123.1° | 124.3° |
N1 | C5 | C4 | 111.2° | 106.4° |
N1 | C5 | C6 | 126.0° | 126.8° |
N2 | C3 | C4 | 103.9° | 106.1° |
N2 | C3 | C10 | 133.8° | 134.7° |
C3 | N2 | HN2 | 123.1° | 124.4° |
C4 | C3 | C10 | 122.3° | 119.2° |
C3 | C4 | C5 | 104.5° | 104.3° |
C3 | C4 | C13 | 117.3° | 120.1° |
C3 | C10 | C11 | 119.1° | 119.7° |
C3 | C10 | H10 | 120.4° | 120.1° |
C5 | C4 | C13 | 138.2° | 135.6° |
C4 | C5 | C6 | 122.7° | 126.8° |
C4 | C13 | C12 | 120.9° | 119.5° |
C4 | C13 | H13 | 119.6° | 120.2° |
C5 | C6 | N7 | 115.2° | 120.0° |
C5 | C6 | O9 | 121.7° | 120.0° |
N7 | C6 | O9 | 123.1° | 120.0° |
C6 | N7 | N8 | 121.0° | 120.0° |
C6 | N7 | HN7 | 119.5° | 120.0° |
N8 | N7 | HN7 | 119.5° | 120.0° |
N7 | N8 | HN8 | 109.5° | 111.0° |
N7 | N8 | HN8A | 109.4° | 111.0° |
C10 | C11 | C12 | 119.9° | 120.9° |
C11 | C10 | H10 | 120.4° | 120.1° |
C10 | C11 | H11 | 120.0° | 119.5° |
C11 | C12 | C13 | 120.5° | 120.5° |
C12 | C11 | H11 | 120.0° | 119.6° |
C11 | C12 | H12 | 119.7° | 119.7° |
C13 | C12 | H12 | 119.8° | 119.8° |
C12 | C13 | H13 | 119.6° | 120.3° |
HN8 | N8 | HN8A | 109.5° | 111.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | N2 | C3 | HN2 | 180.0° | 180.0° |
N1 | N2 | C3 | C4 | 0.2° | 0.0° |
N1 | N2 | C3 | C10 | 180.0° | 180.0° |
N2 | N1 | C5 | C4 | 0.1° | 0.0° |
N2 | N1 | C5 | C6 | 179.9° | 180.0° |
C5 | N1 | N2 | C3 | 0.2° | 0.0° |
N1 | C5 | C4 | C3 | 0.0° | 0.0° |
N1 | C5 | C4 | C6 | 180.0° | 180.0° |
N1 | C5 | C4 | C13 | 179.9° | 179.9° |
N1 | C5 | C6 | N7 | 0.3° | 0.1° |
N1 | C5 | C6 | O9 | 179.9° | 180.0° |
C5 | N1 | N2 | HN2 | 179.8° | 180.0° |
N2 | C3 | C4 | C10 | 179.8° | 180.0° |
N2 | C3 | C4 | C5 | 0.1° | 0.0° |
N2 | C3 | C4 | C13 | 179.8° | 179.9° |
N2 | C3 | C10 | C11 | 179.7° | 180.0° |
N2 | C3 | C10 | H10 | 0.3° | 0.0° |
C3 | C4 | C5 | C13 | 179.9° | 179.9° |
C3 | C4 | C5 | C6 | 180.0° | 180.0° |
C4 | C3 | C10 | C11 | 0.1° | 0.0° |
C3 | C4 | C13 | C12 | 0.0° | 0.1° |
C4 | C3 | N2 | HN2 | 179.8° | 180.0° |
C4 | C3 | C10 | H10 | 179.9° | 180.0° |
C3 | C4 | C13 | H13 | 179.9° | 180.0° |
C10 | C3 | C4 | C5 | 179.9° | 180.0° |
C10 | C3 | C4 | C13 | 0.0° | 0.1° |
C3 | C10 | C11 | H10 | 180.0° | 180.0° |
C3 | C10 | C11 | C12 | 0.2° | 0.0° |
C10 | C3 | N2 | HN2 | 0.0° | 0.1° |
C3 | C10 | C11 | H11 | 179.8° | 180.0° |
C4 | C5 | C6 | N7 | 179.8° | 179.9° |
C4 | C5 | C6 | O9 | 0.1° | 0.0° |
C5 | C4 | C13 | C12 | 179.9° | 180.0° |
C5 | C4 | C13 | H13 | 0.2° | 0.1° |
C13 | C4 | C5 | C6 | 0.1° | 0.0° |
C4 | C13 | C12 | C11 | 0.0° | 0.1° |
C4 | C13 | C12 | H13 | 180.0° | 179.9° |
C4 | C13 | C12 | H12 | 180.0° | 179.9° |
C5 | C6 | N7 | O9 | 179.7° | 180.0° |
C5 | C6 | N7 | N8 | 179.4° | 180.0° |
C5 | C6 | N7 | HN7 | 0.6° | 0.1° |
C6 | N7 | N8 | HN7 | 180.0° | 180.0° |
C6 | N7 | N8 | HN8 | 180.0° | 179.9° |
C6 | N7 | N8 | HN8A | 60.0° | 56.0° |
O9 | C6 | N7 | N8 | 0.3° | 0.0° |
O9 | C6 | N7 | HN7 | 179.7° | 180.0° |
N7 | N8 | HN8 | HN8A | 120.0° | 124.0° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.1° | 0.0° |
C10 | C11 | C12 | H12 | 179.9° | 180.0° |
C11 | C12 | C13 | H12 | 180.0° | 180.0° |
C12 | C11 | C10 | H10 | 179.8° | 180.0° |
C11 | C12 | C13 | H13 | 180.0° | 180.0° |
C13 | C12 | C11 | H11 | 179.9° | 179.9° |
HN7 | N7 | N8 | HN8 | 0.0° | 0.0° |
HN7 | N7 | N8 | HN8A | 120.0° | 124.0° |
H10 | C10 | C11 | H11 | 0.1° | 0.0° |
H11 | C11 | C12 | H12 | 0.1° | 0.0° |
H12 | C12 | C13 | H13 | 0.0° | 0.1° |