K2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C15 | sing | 1.40Å | 1.44Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| O24 | C5 | doub | 1.22Å | 1.23Å | |
| C5 | N6 | sing | 1.34Å | 1.34Å | |
| C5 | C23 | sing | 1.47Å | 1.49Å | |
| C15 | C14 | doub | 1.40Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.44Å | Aromatic |
| C1 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.46Å | |
| C14 | N13 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C16 | doub | 1.41Å | 1.46Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.45Å | Aromatic |
| C7 | C22 | sing | 1.51Å | 1.52Å | |
| N13 | C17 | sing | 1.39Å | 1.36Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.45Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | C18 | sing | 1.40Å | 1.44Å | Aromatic |
| C21 | C20 | sing | 1.47Å | 1.44Å | Aromatic |
| C18 | N12 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C8 | doub | 1.39Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 121.6° | 120.3° |
| C3 | C4 | C15 | 118.7° | 119.7° |
| C3 | C4 | H4 | 120.6° | 120.2° |
| C4 | C3 | H3 | 119.2° | 119.8° |
| C3 | C2 | C1 | 121.4° | 120.6° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C3 | C2 | H2 | 119.3° | 119.7° |
| C4 | C15 | C14 | 118.6° | 120.0° |
| C4 | C15 | C16 | 134.8° | 133.5° |
| C15 | C4 | H4 | 120.7° | 120.1° |
| C2 | C1 | C14 | 116.8° | 120.1° |
| C1 | C2 | H2 | 119.3° | 119.7° |
| C2 | C1 | H1 | 121.6° | 120.0° |
| O24 | C5 | N6 | 124.8° | 124.8° |
| O24 | C5 | C23 | 128.4° | 124.8° |
| N6 | C5 | C23 | 106.8° | 110.4° |
| C5 | N6 | C7 | 114.8° | 108.6° |
| C5 | N6 | HN6 | 122.6° | 125.7° |
| C5 | C23 | C16 | 131.8° | 132.3° |
| C5 | C23 | C22 | 107.6° | 108.4° |
| C14 | C15 | C16 | 106.6° | 106.5° |
| C15 | C14 | C1 | 122.9° | 119.3° |
| C15 | C14 | N13 | 108.7° | 108.2° |
| C15 | C16 | C23 | 136.2° | 133.0° |
| C15 | C16 | C17 | 105.7° | 106.6° |
| C1 | C14 | N13 | 128.4° | 132.5° |
| C14 | C1 | H1 | 121.6° | 120.0° |
| N6 | C7 | C22 | 101.5° | 106.2° |
| N6 | C7 | H71 | 112.2° | 110.1° |
| C7 | N6 | HN6 | 122.6° | 125.7° |
| N6 | C7 | H72 | 113.9° | 110.2° |
| C14 | N13 | C17 | 109.6° | 110.2° |
| C14 | N13 | HN13 | 125.2° | 124.9° |
| C16 | C23 | C22 | 120.6° | 119.3° |
| C23 | C16 | C17 | 118.1° | 120.4° |
| C23 | C22 | C7 | 109.4° | 106.5° |
| C23 | C22 | C21 | 121.0° | 120.4° |
| C16 | C17 | N13 | 109.4° | 108.5° |
| C16 | C17 | C18 | 121.5° | 119.7° |
| C7 | C22 | C21 | 129.7° | 133.1° |
| C22 | C7 | H71 | 112.2° | 110.1° |
| C22 | C7 | H72 | 113.9° | 110.1° |
| N13 | C17 | C18 | 129.1° | 131.8° |
| C17 | N13 | HN13 | 125.2° | 124.9° |
| C22 | C21 | C18 | 119.5° | 120.5° |
| C22 | C21 | C20 | 134.4° | 133.2° |
| C17 | C18 | C21 | 119.3° | 119.6° |
| C17 | C18 | N12 | 130.9° | 131.9° |
| C18 | C21 | C20 | 106.1° | 106.4° |
| C21 | C18 | N12 | 109.8° | 108.4° |
| C21 | C20 | C8 | 132.8° | 133.4° |
| C21 | C20 | C19 | 107.0° | 106.5° |
| C18 | N12 | C19 | 108.4° | 110.4° |
| C18 | N12 | HN12 | 125.8° | 124.8° |
| N12 | C19 | C20 | 108.8° | 108.3° |
| N12 | C19 | C11 | 131.0° | 132.4° |
| C19 | N12 | HN12 | 125.8° | 124.8° |
| C8 | C20 | C19 | 120.2° | 120.1° |
| C20 | C8 | C9 | 119.2° | 119.7° |
| C20 | C8 | H8 | 120.4° | 120.1° |
| C20 | C19 | C11 | 120.3° | 119.3° |
| C8 | C9 | C10 | 120.4° | 120.2° |
| C9 | C8 | H8 | 120.4° | 120.1° |
| C8 | C9 | H9 | 119.8° | 119.8° |
| C19 | C11 | C10 | 118.1° | 120.0° |
| C19 | C11 | H11 | 120.9° | 119.9° |
| C9 | C10 | C11 | 121.9° | 120.6° |
| C10 | C9 | H9 | 119.8° | 119.9° |
| C9 | C10 | H10 | 119.1° | 119.6° |
| C11 | C10 | H10 | 119.0° | 119.7° |
| C10 | C11 | H11 | 121.0° | 120.0° |
| H71 | C7 | H72 | 103.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C15 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C15 | C14 | 0.0° | 0.0° |
| C3 | C4 | C15 | C16 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.9° | 179.9° |
| C2 | C3 | C4 | C15 | 0.0° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C14 | 0.1° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C4 | C15 | C14 | C16 | 180.0° | 180.0° |
| C4 | C15 | C14 | C1 | 0.0° | 0.0° |
| C4 | C15 | C14 | N13 | 179.9° | 180.0° |
| C4 | C15 | C16 | C23 | 0.0° | 0.1° |
| C4 | C15 | C16 | C17 | 179.9° | 180.0° |
| C15 | C4 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C14 | C15 | 0.1° | 0.1° |
| C2 | C1 | C14 | H1 | 180.0° | 179.9° |
| C2 | C1 | C14 | N13 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| O24 | C5 | N6 | C23 | 179.9° | 180.0° |
| O24 | C5 | N6 | C7 | 180.0° | 180.0° |
| O24 | C5 | C23 | C16 | 0.0° | 0.1° |
| O24 | C5 | C23 | C22 | 180.0° | 180.0° |
| O24 | C5 | N6 | HN6 | 0.1° | 0.1° |
| C5 | N6 | C7 | HN6 | 180.0° | 179.9° |
| N6 | C5 | C23 | C16 | 179.9° | 179.9° |
| N6 | C5 | C23 | C22 | 0.1° | 0.0° |
| C5 | N6 | C7 | C22 | 0.1° | 0.0° |
| C5 | N6 | C7 | H71 | 120.1° | 119.2° |
| C5 | N6 | C7 | H72 | 122.7° | 119.2° |
| C5 | C23 | C16 | C15 | 0.1° | 0.1° |
| C23 | C5 | N6 | C7 | 0.1° | 0.0° |
| C5 | C23 | C16 | C22 | 180.0° | 179.9° |
| C5 | C23 | C16 | C17 | 179.9° | 180.0° |
| C5 | C23 | C22 | C7 | 0.1° | 0.1° |
| C5 | C23 | C22 | C21 | 179.9° | 180.0° |
| C23 | C5 | N6 | HN6 | 179.9° | 179.9° |
| C15 | C14 | C1 | N13 | 180.0° | 179.9° |
| C14 | C15 | C16 | C23 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | N13 | C17 | 0.0° | 0.0° |
| C15 | C14 | N13 | HN13 | 180.0° | 180.0° |
| C14 | C15 | C4 | H4 | 180.0° | 180.0° |
| C15 | C14 | C1 | H1 | 179.9° | 180.0° |
| C16 | C15 | C14 | C1 | 179.9° | 180.0° |
| C16 | C15 | C14 | N13 | 0.1° | 0.1° |
| C15 | C16 | C23 | C17 | 179.9° | 179.9° |
| C15 | C16 | C23 | C22 | 179.9° | 180.0° |
| C15 | C16 | C17 | N13 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 180.0° | 180.0° |
| C16 | C15 | C4 | H4 | 0.0° | 0.1° |
| C1 | C14 | N13 | C17 | 180.0° | 179.9° |
| C1 | C14 | N13 | HN13 | 0.0° | 0.1° |
| C14 | C1 | C2 | H2 | 179.9° | 180.0° |
| N6 | C7 | C22 | C23 | 0.0° | 0.1° |
| N6 | C7 | C22 | H71 | 120.0° | 119.1° |
| N6 | C7 | C22 | H72 | 122.8° | 119.3° |
| N6 | C7 | C22 | C21 | 180.0° | 180.0° |
| N6 | C7 | H71 | H72 | 123.2° | 121.7° |
| C14 | N13 | C17 | C16 | 0.1° | 0.0° |
| C14 | N13 | C17 | HN13 | 180.0° | 179.9° |
| C14 | N13 | C17 | C18 | 180.0° | 180.0° |
| N13 | C14 | C1 | H1 | 0.1° | 0.1° |
| C16 | C23 | C22 | C7 | 179.9° | 180.0° |
| C23 | C16 | C17 | N13 | 179.9° | 180.0° |
| C16 | C23 | C22 | C21 | 0.1° | 0.1° |
| C23 | C16 | C17 | C18 | 0.0° | 0.0° |
| C22 | C23 | C16 | C17 | 0.1° | 0.1° |
| C23 | C22 | C7 | C21 | 179.9° | 179.9° |
| C23 | C22 | C21 | C18 | 0.2° | 0.0° |
| C23 | C22 | C21 | C20 | 180.0° | 179.9° |
| C23 | C22 | C7 | H71 | 120.0° | 119.2° |
| C23 | C22 | C7 | H72 | 122.8° | 119.2° |
| C16 | C17 | N13 | C18 | 179.9° | 180.0° |
| C16 | C17 | C18 | C21 | 0.1° | 0.0° |
| C16 | C17 | C18 | N12 | 180.0° | 179.9° |
| C16 | C17 | N13 | HN13 | 179.9° | 179.9° |
| C7 | C22 | C21 | C18 | 179.9° | 179.9° |
| C7 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | C7 | H71 | H72 | 123.2° | 121.6° |
| C22 | C7 | N6 | HN6 | 180.0° | 180.0° |
| N13 | C17 | C18 | C21 | 179.9° | 180.0° |
| N13 | C17 | C18 | N12 | 0.2° | 0.1° |
| C22 | C21 | C18 | C17 | 0.1° | 0.0° |
| C22 | C21 | C18 | C20 | 179.9° | 180.0° |
| C22 | C21 | C18 | N12 | 180.0° | 180.0° |
| C22 | C21 | C20 | C8 | 0.1° | 0.1° |
| C22 | C21 | C20 | C19 | 180.0° | 180.0° |
| C21 | C22 | C7 | H71 | 60.0° | 60.9° |
| C21 | C22 | C7 | H72 | 57.2° | 60.7° |
| C17 | C18 | C21 | N12 | 179.9° | 180.0° |
| C17 | C18 | C21 | C20 | 180.0° | 180.0° |
| C17 | C18 | N12 | C19 | 179.9° | 180.0° |
| C17 | C18 | N12 | HN12 | 0.1° | 0.1° |
| C18 | C17 | N13 | HN13 | 0.0° | 0.1° |
| C21 | C18 | N12 | C19 | 0.0° | 0.0° |
| C18 | C21 | C20 | C8 | 180.0° | 180.0° |
| C18 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C18 | N12 | HN12 | 180.0° | 180.0° |
| C20 | C21 | C18 | N12 | 0.0° | 0.0° |
| C21 | C20 | C19 | N12 | 0.1° | 0.0° |
| C21 | C20 | C8 | C19 | 179.9° | 179.9° |
| C21 | C20 | C8 | C9 | 179.9° | 180.0° |
| C21 | C20 | C19 | C11 | 179.9° | 180.0° |
| C21 | C20 | C8 | H8 | 0.1° | 0.1° |
| C18 | N12 | C19 | HN12 | 180.0° | 180.0° |
| C18 | N12 | C19 | C20 | 0.1° | 0.0° |
| C18 | N12 | C19 | C11 | 180.0° | 180.0° |
| N12 | C19 | C20 | C8 | 180.0° | 180.0° |
| N12 | C19 | C20 | C11 | 180.0° | 180.0° |
| N12 | C19 | C11 | C10 | 180.0° | 180.0° |
| N12 | C19 | C11 | H11 | 0.0° | 0.1° |
| C20 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C20 | C19 | C11 | 0.0° | 0.0° |
| C20 | C8 | C9 | C10 | 0.0° | 0.0° |
| C20 | C8 | C9 | H9 | 180.0° | 179.9° |
| C19 | C20 | C8 | C9 | 0.0° | 0.0° |
| C20 | C19 | C11 | C10 | 0.0° | 0.0° |
| C20 | C19 | N12 | HN12 | 179.9° | 180.0° |
| C19 | C20 | C8 | H8 | 180.0° | 180.0° |
| C20 | C19 | C11 | H11 | 180.0° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C19 | C11 | C10 | C9 | 0.0° | 0.0° |
| C19 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C19 | N12 | HN12 | 0.0° | 0.0° |
| C19 | C11 | C10 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| H71 | C7 | N6 | HN6 | 60.0° | 60.9° |
| H8 | C8 | C9 | H9 | 0.0° | 0.0° |
| H9 | C9 | C10 | H10 | 0.0° | 0.1° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| H4 | C4 | C3 | H3 | 0.0° | 0.0° |
| H3 | C3 | C2 | H2 | 0.1° | 0.0° |
| H2 | C2 | C1 | H1 | 0.1° | 0.1° |
| HN6 | N6 | C7 | H72 | 57.2° | 60.7° |
