N8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N1 | doub | 1.22Å | 1.22Å | |
| N1 | O2 | sing | 1.22Å | 1.22Å | |
| N1 | C1 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N1 | O2 | 118.5° | 120.0° |
| O1 | N1 | C1 | 119.5° | 120.0° |
| O2 | N1 | C1 | 122.0° | 120.0° |
| N1 | C1 | C2 | 110.1° | 109.5° |
| N1 | C1 | H1 | 109.3° | 109.5° |
| N1 | C1 | H1A | 109.1° | 109.5° |
| C1 | C2 | C3 | 113.2° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.4° |
| C2 | C1 | H1A | 109.2° | 109.4° |
| C1 | C2 | H2 | 108.2° | 109.4° |
| C1 | C2 | H2A | 107.4° | 109.5° |
| C2 | C3 | C4 | 114.0° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C3 | C2 | H2A | 107.4° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.4° |
| C2 | C3 | H3A | 106.9° | 109.5° |
| C3 | C4 | C5 | 113.7° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.5° |
| C4 | C3 | H3A | 107.0° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.4° |
| C3 | C4 | H4A | 107.1° | 109.5° |
| C4 | C5 | C6 | 110.5° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.5° |
| C5 | C4 | H4A | 107.1° | 109.5° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C4 | C5 | H5A | 108.9° | 109.5° |
| C5 | C6 | C7 | 114.5° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.4° |
| C6 | C5 | H5A | 108.9° | 109.5° |
| C5 | C6 | H6 | 107.8° | 109.5° |
| C5 | C6 | H6A | 106.7° | 109.5° |
| C6 | C7 | C8 | 111.4° | 109.5° |
| C7 | C6 | H6 | 107.8° | 109.4° |
| C7 | C6 | H6A | 106.7° | 109.5° |
| C6 | C7 | H7 | 108.8° | 109.5° |
| C6 | C7 | H7A | 108.4° | 109.5° |
| C8 | C7 | H7 | 108.8° | 109.4° |
| C8 | C7 | H7A | 108.4° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H8A | 109.5° | 109.4° |
| C7 | C8 | H8B | 109.4° | 109.5° |
| H1 | C1 | H1A | 109.9° | 109.5° |
| H2 | C2 | H2A | 112.4° | 109.4° |
| H3 | C3 | H3A | 113.1° | 109.5° |
| H4 | C4 | H4A | 112.9° | 109.5° |
| H5 | C5 | H5A | 110.3° | 109.5° |
| H6 | C6 | H6A | 113.5° | 109.5° |
| H7 | C7 | H7A | 110.9° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N1 | O2 | C1 | 179.9° | 179.7° |
| O1 | N1 | C1 | C2 | 177.5° | 45.0° |
| O1 | N1 | C1 | H1 | 57.5° | 165.0° |
| O1 | N1 | C1 | H1A | 62.7° | 74.9° |
| O2 | N1 | C1 | C2 | 2.6° | 135.3° |
| O2 | N1 | C1 | H1 | 122.6° | 15.4° |
| O2 | N1 | C1 | H1A | 117.2° | 104.7° |
| N1 | C1 | C2 | H1 | 120.0° | 120.0° |
| N1 | C1 | C2 | H1A | 119.8° | 120.0° |
| N1 | C1 | C2 | C3 | 179.7° | 180.0° |
| N1 | C1 | H1 | H1A | 119.7° | 120.1° |
| N1 | C1 | C2 | H2 | 59.7° | 60.0° |
| N1 | C1 | C2 | H2A | 61.9° | 59.9° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 118.4° | 120.0° |
| C1 | C2 | C3 | C4 | 29.3° | 180.0° |
| C2 | C1 | H1 | H1A | 119.8° | 120.0° |
| C1 | C2 | H2 | H2A | 118.5° | 119.9° |
| C1 | C2 | C3 | H3 | 90.7° | 60.0° |
| C1 | C2 | C3 | H3A | 147.3° | 59.9° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | H3A | 118.0° | 120.0° |
| C2 | C3 | C4 | C5 | 91.8° | 180.0° |
| C3 | C2 | C1 | H1 | 60.3° | 60.0° |
| C3 | C2 | C1 | H1A | 59.9° | 60.0° |
| C3 | C2 | H2 | H2A | 118.5° | 120.0° |
| C2 | C3 | H3 | H3A | 118.1° | 120.0° |
| C2 | C3 | C4 | H4 | 28.2° | 60.0° |
| C2 | C3 | C4 | H4A | 150.0° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 119.9° |
| C3 | C4 | C5 | H4A | 118.1° | 120.0° |
| C3 | C4 | C5 | C6 | 174.4° | 180.0° |
| C4 | C3 | C2 | H2 | 149.3° | 60.0° |
| C4 | C3 | C2 | H2A | 89.1° | 60.0° |
| C4 | C3 | H3 | H3A | 118.2° | 120.1° |
| C3 | C4 | H4 | H4A | 118.2° | 120.0° |
| C3 | C4 | C5 | H5 | 65.7° | 60.1° |
| C3 | C4 | C5 | H5A | 54.8° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 119.6° | 120.0° |
| C4 | C5 | C6 | C7 | 147.3° | 180.0° |
| C5 | C4 | C3 | H3 | 148.1° | 60.0° |
| C5 | C4 | C3 | H3A | 26.1° | 60.0° |
| C5 | C4 | H4 | H4A | 118.3° | 120.1° |
| C4 | C5 | H5 | H5A | 119.6° | 120.1° |
| C4 | C5 | C6 | H6 | 92.7° | 60.0° |
| C4 | C5 | C6 | H6A | 29.6° | 60.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 117.7° | 120.1° |
| C5 | C6 | C7 | C8 | 153.5° | 180.0° |
| C6 | C5 | C4 | H4 | 54.4° | 60.1° |
| C6 | C5 | C4 | H4A | 67.5° | 60.0° |
| C6 | C5 | H5 | H5A | 119.6° | 120.0° |
| C5 | C6 | H6 | H6A | 117.9° | 120.1° |
| C5 | C6 | C7 | H7 | 33.5° | 60.1° |
| C5 | C6 | C7 | H7A | 87.3° | 60.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 119.2° | 120.1° |
| C7 | C6 | C5 | H5 | 27.3° | 60.0° |
| C7 | C6 | C5 | H5A | 93.1° | 60.0° |
| C7 | C6 | H6 | H6A | 117.9° | 120.0° |
| C6 | C7 | H7 | H7A | 119.2° | 120.0° |
| C6 | C7 | C8 | H8 | 49.3° | 60.0° |
| C6 | C7 | C8 | H8A | 70.7° | 60.0° |
| C6 | C7 | C8 | H8B | 169.2° | 180.0° |
| C8 | C7 | C6 | H6 | 86.5° | 60.0° |
| C8 | C7 | C6 | H6A | 35.8° | 59.9° |
| C8 | C7 | H7 | H7A | 119.2° | 120.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 119.9° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 179.7° | 180.0° |
| H1 | C1 | C2 | H2A | 58.1° | 60.0° |
| H1A | C1 | C2 | H2 | 60.1° | 60.0° |
| H1A | C1 | C2 | H2A | 178.3° | 180.0° |
| H2 | C2 | C3 | H3 | 29.3° | 180.0° |
| H2 | C2 | C3 | H3A | 92.7° | 60.1° |
| H2A | C2 | C3 | H3 | 150.9° | 60.0° |
| H2A | C2 | C3 | H3A | 28.9° | 180.0° |
| H3 | C3 | C4 | H4 | 91.9° | 180.0° |
| H3 | C3 | C4 | H4A | 30.0° | 60.0° |
| H3A | C3 | C4 | H4 | 146.1° | 60.0° |
| H3A | C3 | C4 | H4A | 92.0° | 180.0° |
| H4 | C4 | C5 | H5 | 174.4° | 180.0° |
| H4 | C4 | C5 | H5A | 65.2° | 59.9° |
| H4A | C4 | C5 | H5 | 52.5° | 59.9° |
| H4A | C4 | C5 | H5A | 172.9° | 180.0° |
| H5 | C5 | C6 | H6 | 147.3° | 180.0° |
| H5 | C5 | C6 | H6A | 90.4° | 60.0° |
| H5A | C5 | C6 | H6 | 26.9° | 60.0° |
| H5A | C5 | C6 | H6A | 149.1° | 180.0° |
| H6 | C6 | C7 | H7 | 153.5° | 180.0° |
| H6 | C6 | C7 | H7A | 32.7° | 60.0° |
| H6A | C6 | C7 | H7 | 84.2° | 60.0° |
| H6A | C6 | C7 | H7A | 155.0° | 180.0° |
| H7 | C7 | C8 | H8 | 169.3° | 180.0° |
| H7 | C7 | C8 | H8A | 49.3° | 60.0° |
| H7 | C7 | C8 | H8B | 70.8° | 60.0° |
| H7A | C7 | C8 | H8 | 69.9° | 60.0° |
| H7A | C7 | C8 | H8A | 170.0° | 180.0° |
| H7A | C7 | C8 | H8B | 50.0° | 59.9° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
