N8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | sing | 1.29Å | 1.39Å | Aromatic |
| N2 | C10 | doub | 1.30Å | 1.30Å | Aromatic |
| N1 | C9 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| C9 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C9 | N | sing | 1.39Å | 1.37Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N | C8 | sing | 1.35Å | 1.37Å | |
| C8 | O | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C6 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N2 | C10 | 107.6° | 110.0° |
| N2 | N1 | C9 | 108.0° | 109.8° |
| N2 | C10 | N3 | 110.4° | 107.3° |
| N2 | C10 | H7 | 124.8° | 126.3° |
| N1 | C9 | N3 | 107.3° | 107.1° |
| N1 | C9 | N | 125.4° | 126.5° |
| C10 | N3 | C9 | 106.6° | 105.8° |
| C10 | N3 | C11 | 125.2° | 127.1° |
| N3 | C10 | H7 | 124.8° | 126.3° |
| N3 | C9 | N | 126.6° | 126.5° |
| C9 | N3 | C11 | 128.1° | 127.1° |
| C9 | N | C8 | 136.7° | 120.0° |
| C9 | N | H13 | 111.7° | 120.0° |
| N3 | C11 | H14 | 109.5° | 109.4° |
| N3 | C11 | H15 | 109.5° | 109.5° |
| N3 | C11 | H16 | 109.5° | 109.5° |
| N | C8 | O | 122.8° | 120.0° |
| N | C8 | C7 | 114.8° | 120.0° |
| C8 | N | H13 | 111.6° | 120.0° |
| O | C8 | C7 | 121.8° | 120.0° |
| C8 | C7 | C6 | 110.3° | 109.5° |
| C8 | C7 | H5 | 109.3° | 109.5° |
| C8 | C7 | H6 | 109.3° | 109.5° |
| C7 | C6 | C5 | 120.3° | 120.0° |
| C7 | C6 | C12 | 120.6° | 120.0° |
| C6 | C7 | H5 | 109.3° | 109.5° |
| C6 | C7 | H6 | 109.2° | 109.5° |
| C6 | C5 | C3 | 121.5° | 120.0° |
| C5 | C6 | C12 | 118.6° | 120.0° |
| C6 | C5 | H4 | 119.3° | 120.0° |
| C5 | C3 | C4 | 120.8° | 120.0° |
| C5 | C3 | C2 | 118.2° | 120.0° |
| C3 | C5 | H4 | 119.2° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C6 | C12 | C1 | 121.5° | 120.0° |
| C6 | C12 | H9 | 119.3° | 120.0° |
| C3 | C2 | C1 | 121.9° | 120.0° |
| C3 | C2 | H8 | 119.0° | 120.0° |
| C12 | C1 | C2 | 118.2° | 120.0° |
| C12 | C1 | C | 120.9° | 120.0° |
| C1 | C12 | H9 | 119.2° | 120.0° |
| C2 | C1 | C | 121.0° | 120.0° |
| C1 | C2 | H8 | 119.0° | 120.0° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H14 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | C10 | N3 | 0.1° | 0.0° |
| N2 | N1 | C9 | N3 | 0.9° | 0.1° |
| N2 | N1 | C9 | N | 170.0° | 180.0° |
| N1 | N2 | C10 | H7 | 179.9° | 179.9° |
| C10 | N2 | N1 | C9 | 0.7° | 0.1° |
| N2 | C10 | N3 | H7 | 180.0° | 180.0° |
| N2 | C10 | N3 | C9 | 0.4° | 0.0° |
| N2 | C10 | N3 | C11 | 175.8° | 180.0° |
| N1 | C9 | N3 | C10 | 0.9° | 0.1° |
| N1 | C9 | N3 | N | 170.8° | 179.9° |
| N1 | C9 | N3 | C11 | 175.2° | 180.0° |
| N1 | C9 | N | C8 | 134.8° | 0.0° |
| N1 | C9 | N | H13 | 45.2° | 180.0° |
| C10 | N3 | C9 | C11 | 176.0° | 180.0° |
| C10 | N3 | C9 | N | 170.0° | 180.0° |
| C10 | N3 | C11 | H14 | 180.0° | 90.0° |
| C10 | N3 | C11 | H15 | 60.0° | 150.0° |
| C10 | N3 | C11 | H16 | 60.0° | 30.0° |
| N3 | C9 | N | C8 | 34.5° | 180.0° |
| C9 | N3 | C10 | H7 | 179.5° | 180.0° |
| N3 | C9 | N | H13 | 145.5° | 0.1° |
| C9 | N3 | C11 | H14 | 4.7° | 89.9° |
| C9 | N3 | C11 | H15 | 124.7° | 30.0° |
| C9 | N3 | C11 | H16 | 115.4° | 150.0° |
| N | C9 | N3 | C11 | 14.0° | 0.0° |
| C9 | N | C8 | H13 | 180.0° | 179.9° |
| C9 | N | C8 | O | 15.6° | 0.0° |
| C9 | N | C8 | C7 | 173.8° | 179.9° |
| C11 | N3 | C10 | H7 | 4.3° | 0.0° |
| N3 | C11 | H14 | H15 | 120.0° | 120.0° |
| N3 | C11 | H14 | H16 | 120.0° | 120.0° |
| N3 | C11 | H15 | H16 | 120.0° | 120.0° |
| N | C8 | O | C7 | 170.0° | 180.0° |
| N | C8 | C7 | C6 | 174.7° | 180.0° |
| N | C8 | C7 | H5 | 65.2° | 60.0° |
| N | C8 | C7 | H6 | 54.6° | 60.0° |
| O | C8 | C7 | C6 | 3.9° | 0.0° |
| O | C8 | C7 | H5 | 124.0° | 120.0° |
| O | C8 | C7 | H6 | 116.2° | 120.0° |
| O | C8 | N | H13 | 164.4° | 180.0° |
| C8 | C7 | C6 | H5 | 120.1° | 120.0° |
| C8 | C7 | C6 | H6 | 120.1° | 120.0° |
| C8 | C7 | C6 | C5 | 87.2° | 89.9° |
| C8 | C7 | C6 | C12 | 84.8° | 90.0° |
| C8 | C7 | H5 | H6 | 119.6° | 120.0° |
| C7 | C8 | N | H13 | 6.2° | 0.0° |
| C7 | C6 | C5 | C12 | 172.2° | 180.0° |
| C7 | C6 | C5 | C3 | 168.8° | 180.0° |
| C7 | C6 | C12 | C1 | 169.9° | 180.0° |
| C7 | C6 | C5 | H4 | 11.2° | 0.2° |
| C6 | C7 | H5 | H6 | 119.6° | 120.0° |
| C7 | C6 | C12 | H9 | 10.1° | 0.0° |
| C6 | C5 | C3 | H4 | 180.0° | 179.8° |
| C6 | C5 | C3 | C4 | 174.9° | 180.0° |
| C6 | C5 | C3 | C2 | 2.5° | 0.0° |
| C5 | C6 | C12 | C1 | 2.3° | 0.0° |
| C5 | C6 | C7 | H5 | 152.6° | 150.0° |
| C5 | C6 | C7 | H6 | 32.9° | 30.1° |
| C5 | C6 | C12 | H9 | 177.7° | 179.9° |
| C5 | C3 | C4 | C2 | 177.3° | 179.9° |
| C3 | C5 | C6 | C12 | 3.4° | 0.0° |
| C5 | C3 | C2 | C1 | 0.3° | 0.0° |
| C5 | C3 | C4 | H1 | 88.7° | 90.0° |
| C5 | C3 | C4 | H2 | 151.4° | 149.9° |
| C5 | C3 | C4 | H3 | 31.3° | 29.9° |
| C5 | C3 | C2 | H8 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 177.1° | 179.9° |
| C3 | C4 | H1 | H2 | 120.0° | 120.1° |
| C3 | C4 | H1 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C5 | H4 | 5.1° | 0.2° |
| C4 | C3 | C2 | H8 | 2.9° | 0.1° |
| C6 | C12 | C1 | H9 | 180.0° | 179.9° |
| C6 | C12 | C1 | C2 | 0.2° | 0.0° |
| C6 | C12 | C1 | C | 178.6° | 180.0° |
| C12 | C6 | C5 | H4 | 176.5° | 179.7° |
| C12 | C6 | C7 | H5 | 35.3° | 30.0° |
| C12 | C6 | C7 | H6 | 155.0° | 150.0° |
| C3 | C2 | C1 | C12 | 0.8° | 0.0° |
| C3 | C2 | C1 | H8 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 179.6° | 180.0° |
| C2 | C3 | C4 | H1 | 88.6° | 90.0° |
| C2 | C3 | C4 | H2 | 31.3° | 30.0° |
| C2 | C3 | C4 | H3 | 151.4° | 150.0° |
| C2 | C3 | C5 | H4 | 177.5° | 179.7° |
| C12 | C1 | C2 | C | 178.7° | 180.0° |
| C12 | C1 | C2 | H8 | 179.2° | 179.9° |
| C12 | C1 | C | H10 | 90.6° | 90.0° |
| C12 | C1 | C | H11 | 149.4° | 30.0° |
| C12 | C1 | C | H12 | 29.4° | 150.0° |
| C2 | C1 | C12 | H9 | 179.8° | 180.0° |
| C2 | C1 | C | H10 | 90.7° | 90.0° |
| C2 | C1 | C | H11 | 29.3° | 150.0° |
| C2 | C1 | C | H12 | 149.3° | 30.0° |
| C | C1 | C2 | H8 | 0.4° | 0.1° |
| C | C1 | C12 | H9 | 1.4° | 0.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| H1 | C4 | H2 | H3 | 120.0° | 119.9° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H14 | C11 | H15 | H16 | 120.0° | 120.0° |
