KH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C1 | sing | 1.81Å | 1.76Å | |
| S | O1 | doub | 1.45Å | 1.44Å | |
| S | O2 | doub | 1.46Å | 1.45Å | |
| S | O4 | sing | 1.45Å | 1.45Å | |
| C1 | C4 | sing | 1.53Å | 1.49Å | |
| N2 | C7 | sing | 1.47Å | 1.41Å | |
| N2 | C11 | sing | 1.47Å | 1.42Å | |
| N2 | C15 | sing | 1.47Å | 1.42Å | |
| N2 | C16 | sing | 1.47Å | 1.43Å | |
| C4 | C7 | sing | 1.53Å | 1.48Å | |
| C12 | C14 | sing | 1.53Å | 1.49Å | |
| C12 | C16 | sing | 1.53Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C13 | C15 | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S | O1 | 112.8° | 108.8° |
| C1 | S | O2 | 113.7° | 108.8° |
| C1 | S | O4 | 113.4° | 108.8° |
| S | C1 | C4 | 119.8° | 109.5° |
| S | C1 | H1 | 106.8° | 109.5° |
| S | C1 | H1A | 106.8° | 109.4° |
| O1 | S | O2 | 107.4° | 110.1° |
| O1 | S | O4 | 106.0° | 110.1° |
| O2 | S | O4 | 102.7° | 110.1° |
| C1 | C4 | C7 | 114.2° | 109.5° |
| C4 | C1 | H1 | 106.8° | 109.5° |
| C4 | C1 | H1A | 106.8° | 109.4° |
| C1 | C4 | H4 | 108.3° | 109.5° |
| C1 | C4 | H4A | 108.3° | 109.5° |
| C7 | N2 | C11 | 110.2° | 109.4° |
| C7 | N2 | C15 | 109.4° | 109.4° |
| C7 | N2 | C16 | 106.3° | 109.5° |
| N2 | C7 | C4 | 120.5° | 109.5° |
| N2 | C7 | H7 | 106.7° | 109.4° |
| N2 | C7 | H7A | 106.7° | 109.5° |
| C11 | N2 | C15 | 108.9° | 109.4° |
| C11 | N2 | C16 | 111.2° | 109.4° |
| N2 | C11 | H11 | 109.5° | 109.5° |
| N2 | C11 | H11A | 109.5° | 109.5° |
| N2 | C11 | H11B | 109.4° | 109.5° |
| C15 | N2 | C16 | 110.7° | 109.8° |
| N2 | C15 | C13 | 112.8° | 109.6° |
| N2 | C15 | H15 | 108.6° | 109.5° |
| N2 | C15 | H15A | 108.6° | 109.4° |
| N2 | C16 | C12 | 115.5° | 109.6° |
| N2 | C16 | H16 | 107.9° | 109.4° |
| N2 | C16 | H16A | 107.9° | 109.5° |
| C7 | C4 | H4 | 108.3° | 109.5° |
| C7 | C4 | H4A | 108.3° | 109.5° |
| C4 | C7 | H7 | 106.7° | 109.4° |
| C4 | C7 | H7A | 106.7° | 109.5° |
| C14 | C12 | C16 | 110.0° | 109.2° |
| C12 | C14 | C13 | 105.3° | 109.1° |
| C14 | C12 | H12 | 109.3° | 109.5° |
| C14 | C12 | H12A | 109.3° | 109.5° |
| C12 | C14 | H14 | 110.5° | 109.6° |
| C12 | C14 | H14A | 110.5° | 109.5° |
| C16 | C12 | H12 | 109.3° | 109.5° |
| C16 | C12 | H12A | 109.4° | 109.5° |
| C12 | C16 | H16 | 107.9° | 109.5° |
| C12 | C16 | H16A | 108.0° | 109.5° |
| C14 | C13 | C15 | 105.4° | 109.3° |
| C14 | C13 | H13 | 110.5° | 109.5° |
| C14 | C13 | H13A | 110.5° | 109.5° |
| C13 | C14 | H14 | 110.5° | 109.5° |
| C13 | C14 | H14A | 110.5° | 109.6° |
| C15 | C13 | H13 | 110.5° | 109.5° |
| C15 | C13 | H13A | 110.5° | 109.4° |
| C13 | C15 | H15 | 108.6° | 109.4° |
| C13 | C15 | H15A | 108.6° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.4° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.6° |
| H13 | C13 | H13A | 109.5° | 109.6° |
| H14 | C14 | H14A | 109.5° | 109.6° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | S | O1 | O2 | 126.0° | 119.2° |
| C1 | S | O1 | O4 | 124.7° | 119.2° |
| C1 | S | O2 | O4 | 122.9° | 119.2° |
| S | C1 | C4 | H1 | 121.4° | 120.0° |
| S | C1 | C4 | H1A | 121.4° | 120.0° |
| S | C1 | C4 | C7 | 124.8° | 180.0° |
| S | C1 | H1 | H1A | 115.3° | 120.0° |
| S | C1 | C4 | H4 | 4.1° | 60.0° |
| S | C1 | C4 | H4A | 114.5° | 60.0° |
| O1 | S | O2 | O4 | 111.5° | 121.6° |
| O1 | S | C1 | C4 | 179.9° | 180.0° |
| O1 | S | C1 | H1 | 58.6° | 60.0° |
| O1 | S | C1 | H1A | 58.5° | 60.0° |
| O2 | S | C1 | C4 | 57.4° | 60.0° |
| O2 | S | C1 | H1 | 178.8° | 60.0° |
| O2 | S | C1 | H1A | 64.1° | 180.0° |
| O4 | S | C1 | C4 | 59.5° | 60.0° |
| O4 | S | C1 | H1 | 61.9° | 180.0° |
| O4 | S | C1 | H1A | 179.1° | 60.0° |
| C1 | C4 | C7 | N2 | 167.8° | 180.0° |
| C1 | C4 | C7 | H4 | 120.7° | 120.0° |
| C1 | C4 | C7 | H4A | 120.7° | 120.0° |
| C4 | C1 | H1 | H1A | 115.4° | 120.0° |
| C1 | C4 | H4 | H4A | 117.8° | 120.0° |
| C1 | C4 | C7 | H7 | 70.7° | 60.1° |
| C1 | C4 | C7 | H7A | 46.2° | 60.0° |
| C7 | N2 | C11 | C15 | 120.0° | 119.8° |
| C7 | N2 | C11 | C16 | 117.7° | 119.9° |
| C7 | N2 | C15 | C16 | 116.9° | 120.1° |
| N2 | C7 | C4 | H7 | 121.6° | 119.9° |
| N2 | C7 | C4 | H7A | 121.6° | 120.0° |
| C7 | N2 | C16 | C12 | 175.5° | 176.7° |
| C7 | N2 | C15 | C13 | 129.0° | 176.7° |
| N2 | C7 | C4 | H4 | 71.5° | 60.0° |
| N2 | C7 | C4 | H4A | 47.1° | 60.0° |
| N2 | C7 | H7 | H7A | 115.0° | 120.0° |
| C7 | N2 | C11 | H11 | 180.0° | 60.0° |
| C7 | N2 | C11 | H11A | 60.0° | 180.0° |
| C7 | N2 | C11 | H11B | 60.0° | 60.0° |
| C7 | N2 | C15 | H15 | 110.6° | 56.7° |
| C7 | N2 | C15 | H15A | 8.4° | 63.3° |
| C7 | N2 | C16 | H16 | 54.6° | 63.2° |
| C7 | N2 | C16 | H16A | 63.6° | 56.7° |
| C11 | N2 | C15 | C16 | 122.6° | 120.1° |
| C11 | N2 | C7 | C4 | 69.2° | 60.1° |
| C11 | N2 | C16 | C12 | 64.5° | 56.9° |
| C11 | N2 | C15 | C13 | 110.5° | 56.9° |
| C11 | N2 | C7 | H7 | 52.3° | 180.0° |
| C11 | N2 | C7 | H7A | 169.2° | 60.0° |
| N2 | C11 | H11 | H11A | 120.0° | 120.0° |
| N2 | C11 | H11 | H11B | 120.0° | 120.0° |
| N2 | C11 | H11A | H11B | 120.0° | 120.0° |
| C11 | N2 | C15 | H15 | 9.9° | 63.1° |
| C11 | N2 | C15 | H15A | 129.0° | 176.9° |
| C11 | N2 | C16 | H16 | 174.6° | 177.0° |
| C11 | N2 | C16 | H16A | 56.4° | 63.2° |
| C15 | N2 | C7 | C4 | 50.5° | 179.9° |
| C15 | N2 | C16 | C12 | 56.7° | 63.2° |
| N2 | C15 | C13 | C14 | 51.5° | 60.0° |
| N2 | C15 | C13 | H15 | 120.5° | 120.1° |
| N2 | C15 | C13 | H15A | 120.5° | 120.0° |
| C15 | N2 | C7 | H7 | 172.0° | 60.2° |
| C15 | N2 | C7 | H7A | 71.1° | 59.8° |
| C15 | N2 | C11 | H11 | 59.9° | 59.8° |
| C15 | N2 | C11 | H11A | 179.9° | 60.2° |
| C15 | N2 | C11 | H11B | 60.0° | 179.8° |
| N2 | C15 | C13 | H13 | 67.8° | 179.9° |
| N2 | C15 | C13 | H13A | 170.9° | 59.9° |
| N2 | C15 | H15 | H15A | 118.5° | 119.9° |
| C15 | N2 | C16 | H16 | 64.2° | 56.9° |
| C15 | N2 | C16 | H16A | 177.6° | 176.7° |
| C16 | N2 | C7 | C4 | 170.1° | 59.8° |
| N2 | C16 | C12 | C14 | 31.3° | 60.0° |
| N2 | C16 | C12 | H16 | 120.9° | 120.1° |
| N2 | C16 | C12 | H16A | 120.9° | 120.1° |
| C16 | N2 | C15 | C13 | 12.1° | 63.2° |
| C16 | N2 | C7 | H7 | 68.4° | 60.1° |
| C16 | N2 | C7 | H7A | 48.6° | 179.9° |
| C16 | N2 | C11 | H11 | 62.3° | 179.9° |
| C16 | N2 | C11 | H11A | 57.7° | 60.1° |
| C16 | N2 | C11 | H11B | 177.7° | 59.9° |
| N2 | C16 | C12 | H12 | 88.8° | 59.9° |
| N2 | C16 | C12 | H12A | 151.4° | 179.9° |
| C16 | N2 | C15 | H15 | 132.5° | 176.8° |
| C16 | N2 | C15 | H15A | 108.5° | 56.8° |
| N2 | C16 | H16 | H16A | 117.2° | 119.9° |
| C7 | C4 | C1 | H1 | 113.7° | 59.9° |
| C7 | C4 | C1 | H1A | 3.4° | 60.1° |
| C7 | C4 | H4 | H4A | 117.8° | 120.0° |
| C4 | C7 | H7 | H7A | 115.0° | 120.0° |
| C14 | C12 | C16 | H12 | 120.1° | 119.9° |
| C14 | C12 | C16 | H12A | 120.1° | 119.9° |
| C12 | C14 | C13 | H14 | 119.4° | 119.9° |
| C12 | C14 | C13 | H14A | 119.3° | 119.9° |
| C12 | C14 | C13 | C15 | 75.0° | 56.9° |
| C14 | C12 | H12 | H12A | 119.7° | 120.1° |
| C12 | C14 | C13 | H13 | 44.3° | 176.8° |
| C12 | C14 | C13 | H13A | 165.6° | 62.9° |
| C12 | C14 | H14 | H14A | 121.9° | 120.2° |
| C14 | C12 | C16 | H16 | 89.5° | 60.1° |
| C14 | C12 | C16 | H16A | 152.2° | 179.9° |
| C16 | C12 | C14 | C13 | 32.9° | 56.9° |
| C16 | C12 | H12 | H12A | 119.8° | 120.1° |
| C16 | C12 | C14 | H14 | 152.2° | 62.9° |
| C16 | C12 | C14 | H14A | 86.5° | 176.8° |
| C12 | C16 | H16 | H16A | 117.3° | 119.9° |
| C14 | C13 | C15 | H13 | 119.4° | 119.9° |
| C14 | C13 | C15 | H13A | 119.4° | 119.9° |
| C13 | C14 | C12 | H12 | 153.0° | 63.0° |
| C13 | C14 | C12 | H12A | 87.3° | 176.8° |
| C14 | C13 | H13 | H13A | 121.9° | 120.2° |
| C13 | C14 | H14 | H14A | 121.9° | 120.2° |
| C14 | C13 | C15 | H15 | 69.0° | 179.9° |
| C14 | C13 | C15 | H15A | 172.0° | 60.0° |
| C15 | C13 | H13 | H13A | 121.9° | 120.1° |
| C15 | C13 | C14 | H14 | 165.6° | 63.0° |
| C15 | C13 | C14 | H14A | 44.3° | 176.8° |
| C13 | C15 | H15 | H15A | 118.5° | 119.9° |
| H1 | C1 | C4 | H4 | 125.6° | 180.0° |
| H1 | C1 | C4 | H4A | 7.0° | 60.0° |
| H1A | C1 | C4 | H4 | 117.3° | 60.0° |
| H1A | C1 | C4 | H4A | 124.1° | 179.9° |
| H4 | C4 | C7 | H7 | 50.0° | 60.0° |
| H4 | C4 | C7 | H7A | 166.9° | 180.0° |
| H4A | C4 | C7 | H7 | 168.6° | 180.0° |
| H4A | C4 | C7 | H7A | 74.5° | 60.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H12 | C12 | C14 | H14 | 87.7° | 177.2° |
| H12 | C12 | C14 | H14A | 33.6° | 56.9° |
| H12 | C12 | C16 | H16 | 150.4° | 180.0° |
| H12 | C12 | C16 | H16A | 32.1° | 60.1° |
| H12A | C12 | C14 | H14 | 32.1° | 57.0° |
| H12A | C12 | C14 | H14A | 153.4° | 63.2° |
| H12A | C12 | C16 | H16 | 30.6° | 59.9° |
| H12A | C12 | C16 | H16A | 87.7° | 60.0° |
| H13 | C13 | C14 | H14 | 75.0° | 56.9° |
| H13 | C13 | C14 | H14A | 163.7° | 63.3° |
| H13 | C13 | C15 | H15 | 171.7° | 60.0° |
| H13 | C13 | C15 | H15A | 52.7° | 59.9° |
| H13A | C13 | C14 | H14 | 46.2° | 177.1° |
| H13A | C13 | C14 | H14A | 75.0° | 56.9° |
| H13A | C13 | C15 | H15 | 50.4° | 60.2° |
| H13A | C13 | C15 | H15A | 68.6° | 180.0° |
