Z0W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.46Å | Aromatic |
C5 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
C6 | C7 | sing | 1.47Å | 1.47Å | Aromatic |
C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
C7 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
C12 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N3 | C2 | N1 | 128.3° | 122.2° |
C2 | N3 | C4 | 116.2° | 121.4° |
N3 | C2 | H2 | 115.9° | 118.9° |
C2 | N1 | C6 | 117.9° | 120.3° |
N1 | C2 | H2 | 115.9° | 118.9° |
N3 | C4 | C5 | 120.9° | 118.8° |
N3 | C4 | H4 | 119.5° | 120.6° |
C4 | C5 | C6 | 119.0° | 118.0° |
C4 | C5 | N2 | 130.6° | 133.5° |
C5 | C4 | H4 | 119.5° | 120.6° |
C6 | C5 | N2 | 110.4° | 108.5° |
C5 | C6 | N1 | 117.7° | 119.3° |
C5 | C6 | C7 | 103.3° | 106.3° |
C5 | N2 | C12 | 108.6° | 110.2° |
C5 | N2 | HN2 | 125.7° | 124.9° |
N1 | C6 | C7 | 139.0° | 134.4° |
C6 | C7 | C8 | 132.7° | 133.5° |
C6 | C7 | C12 | 108.3° | 106.5° |
C8 | C7 | C12 | 118.9° | 120.0° |
C7 | C8 | C9 | 119.7° | 119.8° |
C7 | C8 | H8 | 120.2° | 120.1° |
C7 | C12 | C11 | 121.3° | 119.3° |
C7 | C12 | N2 | 109.3° | 108.4° |
C8 | C9 | C10 | 120.8° | 120.2° |
C9 | C8 | H8 | 120.2° | 120.1° |
C8 | C9 | H9 | 119.6° | 119.9° |
C11 | C12 | N2 | 129.2° | 132.3° |
C12 | C11 | C10 | 118.4° | 120.1° |
C12 | C11 | H11 | 120.8° | 120.0° |
C12 | N2 | HN2 | 125.7° | 124.8° |
C11 | C10 | C9 | 120.8° | 120.6° |
C10 | C11 | H11 | 120.8° | 120.0° |
C11 | C10 | H10 | 119.6° | 119.7° |
C10 | C9 | H9 | 119.6° | 119.9° |
C9 | C10 | H10 | 119.6° | 119.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N3 | C2 | N1 | H2 | 180.0° | 179.8° |
C2 | N3 | C4 | C5 | 0.8° | 0.0° |
N3 | C2 | N1 | C6 | 1.0° | 0.0° |
C2 | N3 | C4 | H4 | 179.2° | 180.0° |
N1 | C2 | N3 | C4 | 0.4° | 0.0° |
C2 | N1 | C6 | C5 | 0.3° | 0.0° |
C2 | N1 | C6 | C7 | 180.0° | 180.0° |
N3 | C4 | C5 | H4 | 180.0° | 180.0° |
N3 | C4 | C5 | C6 | 1.4° | 0.0° |
N3 | C4 | C5 | N2 | 178.1° | 180.0° |
C4 | N3 | C2 | H2 | 179.5° | 179.8° |
C4 | C5 | C6 | N2 | 179.6° | 180.0° |
C4 | C5 | C6 | N1 | 0.8° | 0.0° |
C4 | C5 | C6 | C7 | 179.0° | 180.0° |
C4 | C5 | N2 | C12 | 179.5° | 180.0° |
C4 | C5 | N2 | HN2 | 0.5° | 0.1° |
C5 | C6 | N1 | C7 | 179.7° | 180.0° |
C5 | C6 | C7 | C8 | 174.9° | 180.0° |
C5 | C6 | C7 | C12 | 1.4° | 0.0° |
C6 | C5 | N2 | C12 | 0.9° | 0.0° |
C6 | C5 | C4 | H4 | 178.6° | 180.0° |
C6 | C5 | N2 | HN2 | 179.0° | 179.9° |
N2 | C5 | C6 | N1 | 178.8° | 180.0° |
N2 | C5 | C6 | C7 | 1.4° | 0.0° |
C5 | N2 | C12 | C7 | 0.0° | 0.0° |
C5 | N2 | C12 | C11 | 176.9° | 180.0° |
C5 | N2 | C12 | HN2 | 180.0° | 179.9° |
N2 | C5 | C4 | H4 | 1.9° | 0.0° |
N1 | C6 | C7 | C8 | 4.8° | 0.0° |
N1 | C6 | C7 | C12 | 178.9° | 180.0° |
C6 | N1 | C2 | H2 | 179.0° | 179.8° |
C6 | C7 | C8 | C12 | 176.0° | 180.0° |
C6 | C7 | C8 | C9 | 176.6° | 180.0° |
C6 | C7 | C12 | C11 | 178.1° | 180.0° |
C6 | C7 | C12 | N2 | 0.9° | 0.0° |
C6 | C7 | C8 | H8 | 3.3° | 0.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C8 | C7 | C12 | C11 | 1.2° | 0.0° |
C8 | C7 | C12 | N2 | 176.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.1° | 0.0° |
C7 | C8 | C9 | H9 | 179.9° | 180.0° |
C12 | C7 | C8 | C9 | 0.6° | 0.0° |
C7 | C12 | C11 | N2 | 176.6° | 180.0° |
C7 | C12 | C11 | C10 | 1.0° | 0.0° |
C12 | C7 | C8 | H8 | 179.3° | 180.0° |
C7 | C12 | C11 | H11 | 179.0° | 180.0° |
C7 | C12 | N2 | HN2 | 179.9° | 179.9° |
C8 | C9 | C10 | C11 | 0.3° | 0.0° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C8 | C9 | C10 | H10 | 179.7° | 180.0° |
C12 | C11 | C10 | H11 | 180.0° | 180.0° |
C12 | C11 | C10 | C9 | 0.3° | 0.0° |
C12 | C11 | C10 | H10 | 179.8° | 180.0° |
C11 | C12 | N2 | HN2 | 3.1° | 0.1° |
N2 | C12 | C11 | C10 | 175.6° | 180.0° |
N2 | C12 | C11 | H11 | 4.4° | 0.0° |
C11 | C10 | C9 | H10 | 180.0° | 180.0° |
C11 | C10 | C9 | H9 | 179.7° | 180.0° |
C10 | C9 | C8 | H8 | 179.9° | 180.0° |
C9 | C10 | C11 | H11 | 179.8° | 180.0° |
H8 | C8 | C9 | H9 | 0.0° | 0.0° |
H9 | C9 | C10 | H10 | 0.3° | 0.0° |
H11 | C11 | C10 | H10 | 0.2° | 0.0° |