N2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C3 | N3 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| CL1 | C4 | sing | 1.74Å | 1.73Å | |
| C4 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N4 | sing | 1.47Å | 1.46Å | |
| C6 | C9 | sing | 1.51Å | 1.54Å | |
| C6 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C9 | N3 | sing | 1.46Å | 1.48Å | |
| N3 | C1 | sing | 1.37Å | 1.42Å | |
| N6 | C5 | doub | 1.32Å | 1.35Å | Aromatic |
| N4 | C1 | sing | 1.37Å | 1.40Å | |
| C1 | N2 | doub | 1.30Å | 1.27Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C4 | 118.0° | 119.2° |
| C8 | C7 | C6 | 120.4° | 118.4° |
| C8 | C7 | H6 | 119.8° | 120.8° |
| C7 | C8 | H7 | 121.0° | 120.4° |
| C8 | C4 | CL1 | 119.0° | 119.7° |
| C8 | C4 | N6 | 121.4° | 120.7° |
| C4 | C8 | H7 | 121.0° | 120.4° |
| C2 | C3 | N3 | 105.7° | 104.5° |
| C3 | C2 | N4 | 105.7° | 104.6° |
| C3 | C2 | H3 | 110.4° | 110.4° |
| C2 | C3 | H4 | 110.4° | 110.4° |
| C3 | C2 | H10 | 110.4° | 110.5° |
| C2 | C3 | H11 | 110.4° | 110.4° |
| C3 | N3 | C9 | 123.6° | 125.5° |
| C3 | N3 | C1 | 108.3° | 109.0° |
| N3 | C3 | H4 | 110.4° | 110.4° |
| N3 | C3 | H11 | 110.4° | 110.4° |
| C7 | C6 | C9 | 119.8° | 120.4° |
| C7 | C6 | C5 | 117.6° | 119.2° |
| C6 | C7 | H6 | 119.8° | 120.8° |
| CL1 | C4 | N6 | 119.7° | 119.6° |
| C4 | N6 | C5 | 121.7° | 121.7° |
| C2 | N4 | C1 | 109.5° | 109.0° |
| N4 | C2 | H3 | 110.4° | 110.4° |
| C2 | N4 | H2 | 125.2° | 125.5° |
| N4 | C2 | H10 | 110.4° | 110.4° |
| C9 | C6 | C5 | 122.6° | 120.4° |
| C6 | C9 | N3 | 118.2° | 109.5° |
| C6 | C9 | H8 | 107.3° | 109.5° |
| C6 | C9 | H9 | 107.3° | 109.5° |
| C6 | C5 | N6 | 120.9° | 120.8° |
| C6 | C5 | H5 | 119.5° | 119.6° |
| C9 | N3 | C1 | 128.1° | 125.5° |
| N3 | C9 | H8 | 107.2° | 109.5° |
| N3 | C9 | H9 | 107.2° | 109.4° |
| N3 | C1 | N4 | 110.7° | 112.8° |
| N3 | C1 | N2 | 123.9° | 123.6° |
| N6 | C5 | H5 | 119.6° | 119.7° |
| N4 | C1 | N2 | 125.4° | 123.6° |
| C1 | N4 | H2 | 125.2° | 125.5° |
| C1 | N2 | H1 | 112.0° | 120.0° |
| H3 | C2 | H10 | 109.5° | 110.4° |
| H4 | C3 | H11 | 109.5° | 110.5° |
| H8 | C9 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C4 | H7 | 180.0° | 179.5° |
| C8 | C7 | C6 | H6 | 180.0° | 179.7° |
| C7 | C8 | C4 | CL1 | 179.9° | 179.8° |
| C7 | C8 | C4 | N6 | 0.1° | 0.5° |
| C8 | C7 | C6 | C9 | 179.9° | 179.8° |
| C8 | C7 | C6 | C5 | 0.1° | 0.3° |
| C4 | C8 | C7 | C6 | 0.1° | 0.5° |
| C8 | C4 | CL1 | N6 | 179.8° | 179.7° |
| C8 | C4 | N6 | C5 | 0.1° | 0.2° |
| C4 | C8 | C7 | H6 | 179.9° | 179.7° |
| C2 | C3 | N3 | H4 | 119.4° | 118.8° |
| C2 | C3 | N3 | H11 | 119.4° | 118.7° |
| C3 | C2 | N4 | H3 | 119.4° | 118.8° |
| C3 | C2 | N4 | H10 | 119.4° | 118.9° |
| C2 | C3 | N3 | C9 | 179.8° | 179.8° |
| C2 | C3 | N3 | C1 | 0.2° | 0.0° |
| C3 | C2 | N4 | C1 | 0.1° | 0.0° |
| C3 | C2 | H3 | H10 | 121.8° | 122.5° |
| C2 | C3 | H4 | H11 | 121.8° | 122.4° |
| C3 | C2 | N4 | H2 | 179.9° | 180.0° |
| N3 | C3 | C2 | N4 | 0.2° | 0.0° |
| C3 | N3 | C9 | C6 | 65.8° | 90.3° |
| C3 | N3 | C9 | C1 | 179.6° | 179.7° |
| C3 | N3 | C1 | N4 | 0.1° | 0.0° |
| C3 | N3 | C1 | N2 | 179.8° | 180.0° |
| N3 | C3 | C2 | H3 | 119.2° | 118.7° |
| N3 | C3 | H4 | H11 | 121.7° | 122.4° |
| C3 | N3 | C9 | H8 | 55.5° | 29.7° |
| C3 | N3 | C9 | H9 | 172.9° | 149.7° |
| N3 | C3 | C2 | H10 | 119.6° | 118.8° |
| C7 | C6 | C9 | C5 | 179.9° | 180.0° |
| C7 | C6 | C9 | N3 | 158.8° | 90.0° |
| C7 | C6 | C5 | N6 | 0.1° | 0.0° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 179.9° | 180.0° |
| C7 | C6 | C9 | H8 | 37.5° | 150.0° |
| C7 | C6 | C9 | H9 | 80.0° | 29.9° |
| CL1 | C4 | N6 | C5 | 179.9° | 180.0° |
| CL1 | C4 | C8 | H7 | 0.1° | 0.3° |
| C4 | N6 | C5 | C6 | 0.1° | 0.0° |
| C4 | N6 | C5 | H5 | 179.9° | 180.0° |
| N6 | C4 | C8 | H7 | 179.9° | 180.0° |
| C2 | N4 | C1 | N3 | 0.0° | 0.0° |
| C2 | N4 | C1 | H2 | 180.0° | 180.0° |
| C2 | N4 | C1 | N2 | 179.9° | 180.0° |
| N4 | C2 | H3 | H10 | 121.7° | 122.4° |
| N4 | C2 | C3 | H4 | 119.2° | 118.8° |
| N4 | C2 | C3 | H11 | 119.6° | 118.7° |
| C6 | C9 | N3 | H8 | 121.3° | 120.0° |
| C6 | C9 | N3 | H9 | 121.3° | 120.0° |
| C6 | C9 | N3 | C1 | 114.6° | 90.0° |
| C9 | C6 | C5 | N6 | 179.9° | 180.0° |
| C9 | C6 | C5 | H5 | 0.1° | 0.0° |
| C9 | C6 | C7 | H6 | 0.0° | 0.0° |
| C6 | C9 | H8 | H9 | 116.1° | 120.0° |
| C5 | C6 | C9 | N3 | 21.3° | 90.0° |
| C6 | C5 | N6 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 179.9° | 180.0° |
| C5 | C6 | C9 | H8 | 142.6° | 30.0° |
| C5 | C6 | C9 | H9 | 99.9° | 150.0° |
| C9 | N3 | C1 | N4 | 179.7° | 179.8° |
| C9 | N3 | C1 | N2 | 0.2° | 0.3° |
| C9 | N3 | C3 | H4 | 60.4° | 61.0° |
| N3 | C9 | H8 | H9 | 116.0° | 120.0° |
| C9 | N3 | C3 | H11 | 60.8° | 61.5° |
| N3 | C1 | N4 | N2 | 179.9° | 180.0° |
| N3 | C1 | N2 | H1 | 179.9° | 180.0° |
| C1 | N3 | C3 | H4 | 119.2° | 118.8° |
| C1 | N3 | C9 | H8 | 124.1° | 150.0° |
| C1 | N3 | C9 | H9 | 6.6° | 30.0° |
| N3 | C1 | N4 | H2 | 180.0° | 180.0° |
| C1 | N3 | C3 | H11 | 119.6° | 118.8° |
| N4 | C1 | N2 | H1 | 0.0° | 0.1° |
| C1 | N4 | C2 | H3 | 119.3° | 118.8° |
| C1 | N4 | C2 | H10 | 119.5° | 118.9° |
| N2 | C1 | N4 | H2 | 0.1° | 0.0° |
| H3 | C2 | C3 | H4 | 121.4° | 122.4° |
| H3 | C2 | N4 | H2 | 60.7° | 61.2° |
| H3 | C2 | C3 | H11 | 0.2° | 0.0° |
| H4 | C3 | C2 | H10 | 0.2° | 0.0° |
| H6 | C7 | C8 | H7 | 0.1° | 0.3° |
| H2 | N4 | C2 | H10 | 60.5° | 61.1° |
| H10 | C2 | C3 | H11 | 121.0° | 122.4° |
