N2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.36Å | Aromatic |
| N3 | C1 | doub | 1.31Å | 1.34Å | Aromatic |
| C3 | C1 | sing | 1.48Å | 1.47Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| N2 | C2 | doub | 1.31Å | 1.32Å | Aromatic |
| C1 | N1 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | CL1 | sing | 1.74Å | 1.74Å | |
| C2 | N1 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.5° | 120.2° |
| C7 | C8 | C3 | 121.2° | 119.8° |
| C8 | C7 | H4 | 119.8° | 119.9° |
| C7 | C8 | H5 | 119.4° | 120.1° |
| C7 | C6 | C5 | 120.2° | 120.3° |
| C7 | C6 | H3 | 119.9° | 119.9° |
| C6 | C7 | H4 | 119.8° | 119.9° |
| C8 | C3 | C1 | 118.7° | 120.2° |
| C8 | C3 | C4 | 117.2° | 119.7° |
| C3 | C8 | H5 | 119.4° | 120.1° |
| C6 | C5 | C4 | 119.6° | 120.1° |
| C6 | C5 | H2 | 120.2° | 119.9° |
| C5 | C6 | H3 | 119.9° | 119.8° |
| N2 | N3 | C1 | 109.5° | 109.7° |
| N3 | N2 | C2 | 104.0° | 110.0° |
| N3 | C1 | C3 | 129.7° | 126.5° |
| N3 | C1 | N1 | 108.6° | 107.0° |
| C1 | C3 | C4 | 123.8° | 120.1° |
| C3 | C1 | N1 | 121.4° | 126.5° |
| C3 | C4 | C5 | 121.2° | 119.8° |
| C3 | C4 | CL1 | 121.6° | 120.1° |
| N2 | C2 | N1 | 112.7° | 107.5° |
| N2 | C2 | H6 | 123.6° | 126.2° |
| C1 | N1 | C2 | 105.1° | 105.8° |
| C1 | N1 | H1 | 127.4° | 127.2° |
| C5 | C4 | CL1 | 117.1° | 120.0° |
| C4 | C5 | H2 | 120.2° | 120.0° |
| C2 | N1 | H1 | 127.5° | 127.0° |
| N1 | C2 | H6 | 123.7° | 126.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H4 | 180.0° | 179.7° |
| C7 | C8 | C3 | H5 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 1.1° | 0.0° |
| C7 | C8 | C3 | C1 | 176.8° | 180.0° |
| C7 | C8 | C3 | C4 | 2.4° | 0.5° |
| C8 | C7 | C6 | H3 | 178.9° | 179.9° |
| C6 | C7 | C8 | C3 | 0.2° | 0.2° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.1° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C7 | C8 | H5 | 179.8° | 180.0° |
| C8 | C3 | C1 | N3 | 48.9° | 174.4° |
| C8 | C3 | C1 | C4 | 174.0° | 179.5° |
| C8 | C3 | C1 | N1 | 124.8° | 5.5° |
| C8 | C3 | C4 | C5 | 3.4° | 0.5° |
| C8 | C3 | C4 | CL1 | 179.6° | 179.7° |
| C3 | C8 | C7 | H4 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 2.2° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | CL1 | 179.3° | 180.0° |
| C5 | C6 | C7 | H4 | 178.9° | 179.7° |
| N2 | N3 | C1 | C3 | 176.3° | 179.8° |
| N2 | N3 | C1 | N1 | 1.9° | 0.2° |
| N3 | N2 | C2 | N1 | 0.2° | 0.1° |
| N3 | N2 | C2 | H6 | 179.9° | 179.8° |
| N3 | C1 | C3 | N1 | 173.7° | 179.9° |
| N3 | C1 | C3 | C4 | 137.1° | 6.1° |
| C1 | N3 | N2 | C2 | 1.0° | 0.1° |
| N3 | C1 | N1 | C2 | 1.9° | 0.3° |
| N3 | C1 | N1 | H1 | 178.1° | 180.0° |
| C1 | C3 | C4 | C5 | 177.5° | 180.0° |
| C1 | C3 | C4 | CL1 | 5.6° | 0.3° |
| C3 | C1 | N1 | C2 | 176.8° | 179.8° |
| C3 | C1 | N1 | H1 | 3.2° | 0.1° |
| C1 | C3 | C8 | H5 | 3.2° | 0.3° |
| C4 | C3 | C1 | N1 | 49.1° | 174.0° |
| C3 | C4 | C5 | CL1 | 177.1° | 179.7° |
| C3 | C4 | C5 | H2 | 177.8° | 179.7° |
| C4 | C3 | C8 | H5 | 177.6° | 179.8° |
| N2 | C2 | N1 | C1 | 1.3° | 0.3° |
| N2 | C2 | N1 | H6 | 180.0° | 179.9° |
| N2 | C2 | N1 | H1 | 178.7° | 179.9° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | H6 | 178.7° | 179.7° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| CL1 | C4 | C5 | H2 | 0.7° | 0.1° |
| H1 | N1 | C2 | H6 | 1.3° | 0.0° |
| H2 | C5 | C6 | H3 | 0.1° | 0.1° |
| H3 | C6 | C7 | H4 | 1.1° | 0.2° |
| H4 | C7 | C8 | H5 | 0.2° | 0.3° |
