N0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C12 | doub | 1.30Å | 1.30Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C13 | sing | 1.46Å | 1.48Å | |
| C11 | N | sing | 1.39Å | 1.38Å | |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C13 | C15 | sing | 1.53Å | 1.49Å | |
| N | C10 | sing | 1.35Å | 1.37Å | |
| O1 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | C1 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C9 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O | sing | 1.43Å | 1.44Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N2 | N1 | 107.3° | 110.0° |
| N2 | C12 | N3 | 111.1° | 107.3° |
| N2 | C12 | H11 | 124.5° | 126.4° |
| N2 | N1 | C11 | 107.2° | 109.8° |
| C12 | N3 | C11 | 104.6° | 105.7° |
| C12 | N3 | C13 | 127.7° | 127.1° |
| N3 | C12 | H11 | 124.4° | 126.3° |
| N1 | C11 | N3 | 109.8° | 107.1° |
| N1 | C11 | N | 127.5° | 126.4° |
| C11 | N3 | C13 | 127.7° | 127.2° |
| N3 | C11 | N | 122.6° | 126.4° |
| N3 | C13 | C14 | 118.1° | 117.5° |
| N3 | C13 | C15 | 118.3° | 117.5° |
| N3 | C13 | H5 | 116.3° | 115.6° |
| C11 | N | C10 | 124.6° | 120.0° |
| C11 | N | H8 | 117.7° | 120.0° |
| C13 | C14 | C15 | 59.8° | 60.0° |
| C14 | C13 | C15 | 60.3° | 60.0° |
| C14 | C13 | H5 | 116.1° | 117.5° |
| C13 | C14 | H9 | 120.0° | 117.5° |
| C13 | C14 | H10 | 120.0° | 117.5° |
| C14 | C15 | C13 | 59.9° | 60.0° |
| C14 | C15 | H6 | 120.0° | 117.5° |
| C14 | C15 | H7 | 120.0° | 117.5° |
| C15 | C14 | H9 | 120.0° | 117.5° |
| C15 | C14 | H10 | 120.0° | 117.5° |
| C15 | C13 | H5 | 116.1° | 117.5° |
| C13 | C15 | H6 | 120.0° | 117.4° |
| C13 | C15 | H7 | 120.0° | 117.5° |
| N | C10 | O1 | 121.8° | 120.0° |
| N | C10 | C1 | 117.0° | 120.0° |
| C10 | N | H8 | 117.7° | 120.0° |
| O1 | C10 | C1 | 121.1° | 120.0° |
| C10 | C1 | C9 | 104.6° | 109.4° |
| C10 | C1 | C | 116.2° | 109.5° |
| C10 | C1 | C2 | 107.8° | 109.2° |
| C8 | C7 | C6 | 120.3° | 120.0° |
| C7 | C8 | C9 | 120.8° | 120.3° |
| C8 | C7 | H3 | 119.8° | 120.0° |
| C7 | C8 | H4 | 119.6° | 119.8° |
| C7 | C6 | C5 | 120.3° | 120.0° |
| C7 | C6 | H2 | 119.9° | 120.0° |
| C6 | C7 | H3 | 119.8° | 120.1° |
| C8 | C9 | C1 | 120.7° | 118.8° |
| C8 | C9 | C4 | 118.0° | 119.8° |
| C9 | C8 | H4 | 119.6° | 119.8° |
| C6 | C5 | C4 | 118.9° | 120.2° |
| C6 | C5 | H1 | 120.5° | 119.9° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C9 | C1 | C | 106.9° | 109.4° |
| C9 | C1 | C2 | 112.2° | 109.7° |
| C1 | C9 | C4 | 121.2° | 121.4° |
| C | C1 | C2 | 109.1° | 109.7° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C2 | C3 | 112.4° | 108.4° |
| C1 | C2 | H17 | 108.8° | 109.7° |
| C1 | C2 | H18 | 108.8° | 109.7° |
| C9 | C4 | C5 | 121.7° | 119.7° |
| C9 | C4 | O | 122.3° | 121.8° |
| C5 | C4 | O | 116.0° | 118.5° |
| C4 | C5 | H1 | 120.6° | 119.9° |
| C4 | O | C3 | 113.0° | 117.8° |
| C2 | C3 | O | 111.5° | 108.4° |
| C2 | C3 | H15 | 109.0° | 109.7° |
| C2 | C3 | H16 | 109.0° | 109.7° |
| C3 | C2 | H17 | 108.7° | 109.7° |
| C3 | C2 | H18 | 108.7° | 109.6° |
| O | C3 | H15 | 108.9° | 109.7° |
| O | C3 | H16 | 109.0° | 109.7° |
| H6 | C15 | H7 | 109.5° | 115.6° |
| H9 | C14 | H10 | 109.5° | 115.6° |
| H12 | C | H13 | 109.4° | 109.5° |
| H12 | C | H14 | 109.4° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.4° | 109.6° |
| H17 | C2 | H18 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C12 | N3 | H11 | 180.0° | 180.0° |
| C12 | N2 | N1 | C11 | 0.4° | 0.1° |
| N2 | C12 | N3 | C11 | 0.6° | 0.0° |
| N2 | C12 | N3 | C13 | 176.5° | 180.0° |
| N1 | N2 | C12 | N3 | 0.6° | 0.0° |
| N2 | N1 | C11 | N3 | 0.0° | 0.1° |
| N2 | N1 | C11 | N | 178.4° | 180.0° |
| N1 | N2 | C12 | H11 | 179.4° | 180.0° |
| C12 | N3 | C11 | N1 | 0.3° | 0.0° |
| C12 | N3 | C11 | C13 | 177.1° | 179.9° |
| C12 | N3 | C11 | N | 178.9° | 180.0° |
| C12 | N3 | C13 | C14 | 25.1° | 8.6° |
| C12 | N3 | C13 | C15 | 94.6° | 60.0° |
| C12 | N3 | C13 | H5 | 120.0° | 154.3° |
| N1 | C11 | N3 | N | 178.5° | 179.9° |
| N1 | C11 | N3 | C13 | 176.8° | 180.0° |
| N1 | C11 | N | C10 | 68.4° | 0.1° |
| N1 | C11 | N | H8 | 111.6° | 180.0° |
| C11 | N3 | C13 | C14 | 151.4° | 171.3° |
| C11 | N3 | C13 | C15 | 81.9° | 120.0° |
| N3 | C11 | N | C10 | 109.9° | 180.0° |
| C11 | N3 | C13 | H5 | 63.6° | 25.6° |
| N3 | C11 | N | H8 | 70.1° | 0.1° |
| C11 | N3 | C12 | H11 | 179.4° | 180.0° |
| C13 | N3 | C11 | N | 1.7° | 0.1° |
| N3 | C13 | C14 | C15 | 108.3° | 107.5° |
| N3 | C13 | C14 | H5 | 145.2° | 145.1° |
| N3 | C13 | C15 | H5 | 145.5° | 145.0° |
| N3 | C13 | C15 | H6 | 1.5° | 145.0° |
| N3 | C13 | C15 | H7 | 142.6° | 0.0° |
| N3 | C13 | C14 | H9 | 1.1° | 0.0° |
| N3 | C13 | C14 | H10 | 142.3° | 145.1° |
| C13 | N3 | C12 | H11 | 3.5° | 0.1° |
| C11 | N | C10 | H8 | 180.0° | 179.9° |
| C11 | N | C10 | O1 | 2.8° | 0.1° |
| C11 | N | C10 | C1 | 179.4° | 180.0° |
| C13 | C14 | C15 | H9 | 109.4° | 107.5° |
| C13 | C14 | C15 | H10 | 109.4° | 107.5° |
| C14 | C13 | C15 | H5 | 106.5° | 107.5° |
| C13 | C14 | C15 | H6 | 109.4° | 107.4° |
| C13 | C14 | C15 | H7 | 109.4° | 107.5° |
| C13 | C14 | H9 | H10 | 144.8° | 145.7° |
| C14 | C15 | H6 | H7 | 144.8° | 145.7° |
| C15 | C14 | H9 | H10 | 144.8° | 145.7° |
| C13 | C15 | H6 | H7 | 144.8° | 145.7° |
| N | C10 | O1 | C1 | 177.7° | 179.9° |
| N | C10 | C1 | C9 | 142.1° | 60.0° |
| N | C10 | C1 | C | 24.6° | 59.9° |
| N | C10 | C1 | C2 | 98.3° | 179.9° |
| O1 | C10 | C1 | C9 | 40.1° | 120.0° |
| O1 | C10 | C1 | C | 157.7° | 120.1° |
| O1 | C10 | C1 | C2 | 79.5° | 0.0° |
| O1 | C10 | N | H8 | 177.2° | 180.0° |
| C10 | C1 | C9 | C8 | 65.0° | 77.5° |
| C10 | C1 | C9 | C | 123.8° | 119.9° |
| C10 | C1 | C9 | C2 | 116.6° | 119.7° |
| C10 | C1 | C | C2 | 122.2° | 119.8° |
| C10 | C1 | C9 | C4 | 111.3° | 101.8° |
| C10 | C1 | C2 | C3 | 86.7° | 71.8° |
| C1 | C10 | N | H8 | 0.6° | 0.1° |
| C10 | C1 | C | H12 | 180.0° | 59.9° |
| C10 | C1 | C | H13 | 60.0° | 180.0° |
| C10 | C1 | C | H14 | 60.0° | 60.0° |
| C10 | C1 | C2 | H17 | 33.7° | 48.0° |
| C10 | C1 | C2 | H18 | 152.9° | 168.6° |
| C8 | C7 | C6 | H3 | 180.0° | 179.7° |
| C7 | C8 | C9 | H4 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 1.0° | 0.1° |
| C7 | C8 | C9 | C1 | 174.6° | 179.7° |
| C7 | C8 | C9 | C4 | 1.9° | 0.4° |
| C8 | C7 | C6 | H2 | 179.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.3° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 179.9° | 180.0° |
| C6 | C7 | C8 | H4 | 179.9° | 179.9° |
| C8 | C9 | C1 | C4 | 176.4° | 179.3° |
| C8 | C9 | C1 | C | 58.8° | 42.4° |
| C8 | C9 | C1 | C2 | 178.3° | 162.8° |
| C8 | C9 | C4 | C5 | 2.7° | 0.2° |
| C8 | C9 | C4 | O | 175.1° | 180.0° |
| C9 | C8 | C7 | H3 | 179.9° | 179.9° |
| C6 | C5 | C4 | C9 | 1.7° | 0.1° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | O | 176.2° | 179.8° |
| C5 | C6 | C7 | H3 | 179.0° | 179.9° |
| C9 | C1 | C | C2 | 121.5° | 120.3° |
| C1 | C9 | C4 | C5 | 173.7° | 179.6° |
| C1 | C9 | C4 | O | 8.5° | 0.7° |
| C9 | C1 | C2 | C3 | 27.9° | 48.1° |
| C1 | C9 | C8 | H4 | 5.4° | 0.5° |
| C9 | C1 | C | H12 | 63.7° | 60.0° |
| C9 | C1 | C | H13 | 176.3° | 60.1° |
| C9 | C1 | C | H14 | 56.3° | 179.9° |
| C9 | C1 | C2 | H17 | 148.4° | 167.9° |
| C9 | C1 | C2 | H18 | 92.5° | 71.5° |
| C | C1 | C9 | C4 | 124.9° | 138.2° |
| C | C1 | C2 | C3 | 146.2° | 168.3° |
| C1 | C | H12 | H13 | 120.0° | 120.1° |
| C1 | C | H12 | H14 | 120.0° | 119.9° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C | C1 | C2 | H17 | 93.4° | 72.0° |
| C | C1 | C2 | H18 | 25.7° | 48.7° |
| C2 | C1 | C9 | C4 | 5.3° | 17.9° |
| C1 | C2 | C3 | H17 | 120.4° | 119.7° |
| C1 | C2 | C3 | H18 | 120.4° | 119.7° |
| C1 | C2 | C3 | O | 55.0° | 64.6° |
| C2 | C1 | C | H12 | 57.8° | 179.7° |
| C2 | C1 | C | H13 | 62.2° | 60.2° |
| C2 | C1 | C | H14 | 177.8° | 59.7° |
| C1 | C2 | C3 | H15 | 65.3° | 175.6° |
| C1 | C2 | C3 | H16 | 175.4° | 55.1° |
| C1 | C2 | H17 | H18 | 118.7° | 120.6° |
| C9 | C4 | C5 | O | 177.9° | 179.7° |
| C9 | C4 | O | C3 | 35.2° | 17.4° |
| C9 | C4 | C5 | H1 | 178.3° | 179.9° |
| C4 | C9 | C8 | H4 | 178.1° | 179.9° |
| C5 | C4 | O | C3 | 146.9° | 162.8° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C4 | O | C3 | C2 | 58.3° | 49.2° |
| O | C4 | C5 | H1 | 3.8° | 0.2° |
| C4 | O | C3 | H15 | 62.0° | 168.9° |
| C4 | O | C3 | H16 | 178.6° | 70.6° |
| C2 | C3 | O | H15 | 120.3° | 119.7° |
| C2 | C3 | O | H16 | 120.3° | 119.8° |
| C2 | C3 | H15 | H16 | 119.1° | 120.5° |
| C3 | C2 | H17 | H18 | 118.7° | 120.5° |
| O | C3 | H15 | H16 | 119.1° | 120.5° |
| O | C3 | C2 | H17 | 175.5° | 175.7° |
| O | C3 | C2 | H18 | 65.4° | 55.1° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H2 | C6 | C7 | H3 | 1.0° | 0.2° |
| H3 | C7 | C8 | H4 | 0.1° | 0.2° |
| H5 | C13 | C15 | H6 | 144.1° | 0.0° |
| H5 | C13 | C15 | H7 | 2.9° | 145.0° |
| H5 | C13 | C14 | H9 | 144.1° | 145.1° |
| H5 | C13 | C14 | H10 | 2.9° | 0.0° |
| H6 | C15 | C14 | H9 | 0.0° | 145.1° |
| H6 | C15 | C14 | H10 | 141.2° | 0.0° |
| H7 | C15 | C14 | H9 | 141.2° | 0.0° |
| H7 | C15 | C14 | H10 | 0.0° | 145.0° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
| H15 | C3 | C2 | H17 | 55.2° | 55.9° |
| H15 | C3 | C2 | H18 | 174.3° | 64.7° |
| H16 | C3 | C2 | H17 | 64.2° | 64.6° |
| H16 | C3 | C2 | H18 | 54.9° | 174.8° |
