K4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C | S | sing | 1.76Å | 1.76Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.42Å | |
| S | N | sing | 1.66Å | 1.60Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C3 | C4 | 120.6° | 120.0° |
| O2 | C3 | C2 | 119.5° | 120.1° |
| C3 | O2 | H1 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C4 | C3 | C2 | 119.9° | 119.9° |
| C3 | C4 | H6 | 119.9° | 120.1° |
| C4 | C5 | C | 119.3° | 120.1° |
| C5 | C4 | H6 | 119.9° | 120.0° |
| C4 | C5 | H7 | 120.3° | 119.9° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C3 | C2 | H5 | 120.0° | 120.0° |
| C5 | C | C1 | 120.9° | 120.1° |
| C5 | C | S | 119.6° | 120.0° |
| C | C5 | H7 | 120.3° | 120.0° |
| C2 | C1 | C | 119.5° | 120.0° |
| C2 | C1 | H4 | 120.2° | 120.0° |
| C1 | C2 | H5 | 120.0° | 120.0° |
| C1 | C | S | 119.4° | 119.9° |
| C | C1 | H4 | 120.3° | 120.0° |
| C | S | O | 106.7° | 106.4° |
| C | S | O1 | 107.1° | 106.4° |
| C | S | N | 107.4° | 107.2° |
| O | S | O1 | 119.7° | 123.2° |
| O | S | N | 107.7° | 106.4° |
| O1 | S | N | 107.6° | 106.4° |
| S | N | H2 | 109.5° | 120.0° |
| S | N | H3 | 109.5° | 120.0° |
| H2 | N | H3 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | C4 | C2 | 179.8° | 180.0° |
| O2 | C3 | C4 | C5 | 178.9° | 179.7° |
| O2 | C3 | C2 | C1 | 179.3° | 180.0° |
| O2 | C3 | C2 | H5 | 0.7° | 0.0° |
| O2 | C3 | C4 | H6 | 1.1° | 0.1° |
| C3 | C4 | C5 | H6 | 180.0° | 179.6° |
| C3 | C4 | C5 | C | 0.4° | 0.6° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C4 | C3 | O2 | H1 | 180.0° | 90.0° |
| C4 | C3 | C2 | H5 | 179.5° | 180.0° |
| C3 | C4 | C5 | H7 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.3° |
| C4 | C5 | C | H7 | 180.0° | 179.4° |
| C4 | C5 | C | C1 | 1.9° | 0.6° |
| C4 | C5 | C | S | 179.8° | 179.7° |
| C3 | C2 | C1 | H5 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 1.0° | 0.0° |
| C2 | C3 | O2 | H1 | 0.2° | 90.0° |
| C3 | C2 | C1 | H4 | 179.0° | 179.9° |
| C2 | C3 | C4 | H6 | 179.2° | 179.9° |
| C5 | C | C1 | C2 | 2.2° | 0.3° |
| C5 | C | C1 | S | 177.9° | 179.7° |
| C5 | C | S | O | 12.5° | 23.2° |
| C5 | C | S | O1 | 141.8° | 156.2° |
| C5 | C | S | N | 102.8° | 90.3° |
| C5 | C | C1 | H4 | 177.8° | 179.7° |
| C | C5 | C4 | H6 | 179.6° | 179.7° |
| C2 | C1 | C | H4 | 180.0° | 180.0° |
| C2 | C1 | C | S | 179.9° | 180.0° |
| C1 | C | S | O | 169.5° | 156.5° |
| C1 | C | S | O1 | 40.2° | 23.5° |
| C1 | C | S | N | 75.2° | 90.0° |
| C | C1 | C2 | H5 | 179.0° | 180.0° |
| C1 | C | C5 | H7 | 178.1° | 180.0° |
| C | S | O | O1 | 121.6° | 123.0° |
| C | S | O | N | 115.1° | 114.1° |
| C | S | O1 | N | 115.2° | 114.1° |
| C | S | N | H2 | 180.0° | 120.1° |
| C | S | N | H3 | 60.0° | 60.0° |
| S | C | C1 | H4 | 0.1° | 0.1° |
| S | C | C5 | H7 | 0.2° | 0.3° |
| O | S | O1 | N | 123.3° | 122.9° |
| O | S | N | H2 | 65.4° | 126.4° |
| O | S | N | H3 | 174.6° | 53.5° |
| O1 | S | N | H2 | 65.0° | 6.5° |
| O1 | S | N | H3 | 55.0° | 173.6° |
| S | N | H2 | H3 | 120.0° | 179.9° |
| H4 | C1 | C2 | H5 | 1.0° | 0.0° |
| H6 | C4 | C5 | H7 | 0.4° | 0.3° |
