H6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C | sing | 1.47Å | 1.53Å | |
| C | O2 | doub | 1.21Å | 1.14Å | |
| C | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 123.8° | 119.9° |
| O4 | C4 | C3 | 116.2° | 119.9° |
| C4 | O4 | H4 | 109.5° | 114.0° |
| C5 | C4 | C3 | 120.0° | 120.2° |
| C4 | C5 | C6 | 123.1° | 120.1° |
| C4 | C5 | H5 | 118.5° | 119.9° |
| C4 | C3 | O3 | 116.8° | 119.9° |
| C4 | C3 | C2 | 114.6° | 120.0° |
| C5 | C6 | C1 | 119.1° | 120.0° |
| C6 | C5 | H5 | 118.5° | 119.9° |
| C5 | C6 | H6 | 120.4° | 120.0° |
| O3 | C3 | C2 | 128.6° | 120.0° |
| C3 | O3 | H3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 123.8° | 119.8° |
| C3 | C2 | H2 | 118.1° | 120.1° |
| C6 | C1 | C2 | 119.5° | 119.8° |
| C6 | C1 | C | 113.5° | 120.1° |
| C1 | C6 | H6 | 120.5° | 120.0° |
| C2 | C1 | C | 127.0° | 120.1° |
| C1 | C2 | H2 | 118.1° | 120.0° |
| C1 | C | O2 | 116.2° | 120.0° |
| C1 | C | H1 | 121.9° | 120.0° |
| O2 | C | H1 | 121.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C3 | 180.0° | 179.7° |
| O4 | C4 | C5 | C6 | 179.2° | 180.0° |
| O4 | C4 | C3 | O3 | 0.9° | 0.4° |
| O4 | C4 | C3 | C2 | 177.9° | 179.7° |
| O4 | C4 | C5 | H5 | 0.8° | 0.4° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C5 | C4 | C3 | O3 | 179.1° | 180.0° |
| C5 | C4 | C3 | C2 | 2.1° | 0.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.6° |
| C5 | C4 | O4 | H4 | 180.0° | 90.0° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.3° |
| C4 | C3 | O3 | C2 | 176.5° | 179.9° |
| C4 | C3 | C2 | C1 | 2.7° | 0.0° |
| C4 | C3 | C2 | H2 | 177.3° | 180.0° |
| C4 | C3 | O3 | H3 | 180.0° | 90.0° |
| C3 | C4 | O4 | H4 | 0.0° | 89.7° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.4° | 0.5° |
| C5 | C6 | C1 | C | 179.0° | 179.7° |
| O3 | C3 | C2 | C1 | 179.3° | 179.9° |
| O3 | C3 | C2 | H2 | 0.7° | 0.0° |
| C3 | C2 | C1 | C6 | 2.0° | 0.2° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 179.6° | 180.0° |
| C2 | C3 | O3 | H3 | 3.5° | 89.9° |
| C6 | C1 | C2 | C | 178.4° | 179.8° |
| C6 | C1 | C | O2 | 171.1° | 0.2° |
| C6 | C1 | C | H1 | 8.9° | 180.0° |
| C6 | C1 | C2 | H2 | 178.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.8° | 179.8° |
| C2 | C1 | C | O2 | 7.4° | 180.0° |
| C2 | C1 | C | H1 | 172.6° | 0.2° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C1 | C | O2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | H2 | 0.4° | 0.1° |
| C | C1 | C6 | H6 | 1.0° | 0.2° |
| H5 | C5 | C6 | H6 | 0.2° | 0.3° |
