AZ9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N3 | C4 | doub | 1.32Å | 1.32Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C4 | N5 | sing | 1.32Å | 1.32Å | Aromatic |
O1 | C1 | doub | 1.21Å | 1.22Å | |
C2 | C1 | sing | 1.48Å | 1.47Å | |
C2 | C7 | doub | 1.41Å | 1.42Å | Aromatic |
C1 | N10 | sing | 1.35Å | 1.33Å | |
N5 | N6 | doub | 1.29Å | 1.31Å | Aromatic |
C7 | N6 | sing | 1.33Å | 1.32Å | Aromatic |
C7 | N8 | sing | 1.38Å | 1.38Å | |
N10 | C12 | sing | 1.46Å | 1.47Å | |
N10 | C9 | sing | 1.34Å | 1.33Å | |
C9 | N8 | sing | 1.34Å | 1.32Å | |
C9 | O2 | doub | 1.22Å | 1.20Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C12 | H2 | sing | 1.09Å | 1.10Å | |
C12 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
N8 | H5 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | N3 | C2 | 116.8° | 118.8° |
N3 | C4 | N5 | 124.9° | 121.3° |
N3 | C4 | H1 | 117.5° | 119.4° |
N3 | C2 | C1 | 123.4° | 122.5° |
N3 | C2 | C7 | 117.8° | 119.2° |
C4 | N5 | N6 | 120.8° | 122.1° |
N5 | C4 | H1 | 117.5° | 119.3° |
O1 | C1 | C2 | 123.4° | 121.0° |
O1 | C1 | N10 | 118.9° | 121.0° |
C1 | C2 | C7 | 118.8° | 118.3° |
C2 | C1 | N10 | 117.7° | 118.0° |
C2 | C7 | N6 | 122.5° | 118.8° |
C2 | C7 | N8 | 117.7° | 118.8° |
C1 | N10 | C12 | 119.6° | 119.4° |
C1 | N10 | C9 | 121.3° | 121.2° |
N5 | N6 | C7 | 117.1° | 119.7° |
N6 | C7 | N8 | 119.7° | 122.3° |
C7 | N8 | C9 | 120.5° | 120.7° |
C7 | N8 | H5 | 119.7° | 119.6° |
C12 | N10 | C9 | 119.0° | 119.5° |
N10 | C12 | H2 | 109.5° | 109.4° |
N10 | C12 | H3 | 109.5° | 109.5° |
N10 | C12 | H4 | 109.5° | 109.5° |
N10 | C9 | N8 | 124.0° | 123.0° |
N10 | C9 | O2 | 118.7° | 118.5° |
N8 | C9 | O2 | 117.3° | 118.5° |
C9 | N8 | H5 | 119.8° | 119.7° |
H2 | C12 | H3 | 109.5° | 109.5° |
H2 | C12 | H4 | 109.5° | 109.4° |
H3 | C12 | H4 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N3 | C4 | N5 | H1 | 180.0° | 179.9° |
C4 | N3 | C2 | C1 | 179.9° | 180.0° |
C4 | N3 | C2 | C7 | 1.7° | 0.5° |
N3 | C4 | N5 | N6 | 0.9° | 0.1° |
C2 | N3 | C4 | N5 | 0.1° | 0.2° |
N3 | C2 | C1 | O1 | 1.5° | 0.0° |
N3 | C2 | C1 | C7 | 178.2° | 179.5° |
N3 | C2 | C1 | N10 | 179.0° | 180.0° |
N3 | C2 | C7 | N6 | 2.6° | 0.5° |
N3 | C2 | C7 | N8 | 179.9° | 179.8° |
C2 | N3 | C4 | H1 | 179.9° | 179.7° |
C4 | N5 | N6 | C7 | 0.1° | 0.0° |
O1 | C1 | C2 | N10 | 179.5° | 180.0° |
O1 | C1 | C2 | C7 | 179.7° | 179.5° |
O1 | C1 | N10 | C12 | 1.0° | 0.0° |
O1 | C1 | N10 | C9 | 178.5° | 180.0° |
C1 | C2 | C7 | N6 | 179.1° | 179.9° |
C1 | C2 | C7 | N8 | 1.8° | 0.3° |
C2 | C1 | N10 | C12 | 178.5° | 180.0° |
C2 | C1 | N10 | C9 | 1.0° | 0.1° |
C7 | C2 | C1 | N10 | 0.8° | 0.5° |
C2 | C7 | N6 | N5 | 1.6° | 0.3° |
C2 | C7 | N6 | N8 | 177.2° | 179.7° |
C2 | C7 | N8 | C9 | 1.2° | 0.5° |
C2 | C7 | N8 | H5 | 178.8° | 179.8° |
C1 | N10 | C12 | C9 | 177.6° | 179.9° |
C1 | N10 | C9 | N8 | 1.7° | 0.8° |
C1 | N10 | C9 | O2 | 179.1° | 180.0° |
C1 | N10 | C12 | H2 | 180.0° | 90.0° |
C1 | N10 | C12 | H3 | 60.0° | 150.0° |
C1 | N10 | C12 | H4 | 60.0° | 29.9° |
N5 | N6 | C7 | N8 | 178.8° | 179.9° |
N6 | N5 | C4 | H1 | 179.1° | 180.0° |
N6 | C7 | N8 | C9 | 178.6° | 179.2° |
N6 | C7 | N8 | H5 | 1.4° | 0.1° |
C7 | N8 | C9 | N10 | 0.6° | 1.0° |
C7 | N8 | C9 | H5 | 180.0° | 179.3° |
C7 | N8 | C9 | O2 | 179.7° | 179.8° |
C12 | N10 | C9 | N8 | 179.3° | 179.2° |
C12 | N10 | C9 | O2 | 1.5° | 0.0° |
N10 | C12 | H2 | H3 | 120.0° | 120.0° |
N10 | C12 | H2 | H4 | 120.0° | 120.0° |
N10 | C12 | H3 | H4 | 120.0° | 120.1° |
N10 | C9 | N8 | O2 | 179.2° | 179.2° |
C9 | N10 | C12 | H2 | 2.4° | 90.0° |
C9 | N10 | C12 | H3 | 122.4° | 29.9° |
C9 | N10 | C12 | H4 | 117.6° | 150.0° |
N10 | C9 | N8 | H5 | 179.5° | 179.6° |
O2 | C9 | N8 | H5 | 0.3° | 0.4° |
H2 | C12 | H3 | H4 | 120.0° | 120.0° |