H4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.46Å | |
| N | C5 | sing | 1.38Å | 1.43Å | |
| N | C6 | doub | 1.32Å | 1.39Å | Aromatic |
| N | C8 | sing | 1.34Å | 1.38Å | Aromatic |
| S | C2 | sing | 1.76Å | 1.73Å | Aromatic |
| S | C5 | sing | 1.76Å | 1.71Å | Aromatic |
| CL | C16 | sing | 1.74Å | 1.74Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| N1 | N2 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.31Å | Aromatic |
| C2 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | C8 | doub | 1.31Å | 1.31Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C9 | sing | 1.46Å | 1.47Å | |
| N3 | C10 | doub | 1.29Å | 1.35Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.48Å | 1.43Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C10 | C11 | sing | 1.48Å | 1.49Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 114.4° | 109.4° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | HA | 109.4° | 109.4° |
| C1 | C | HB | 109.5° | 109.4° |
| C | C1 | H1 | 108.2° | 109.5° |
| C | C1 | H1A | 108.2° | 109.5° |
| C5 | N | C6 | 131.6° | 126.3° |
| C5 | N | C8 | 123.6° | 124.0° |
| N | C5 | S | 122.5° | 125.0° |
| N | C5 | C4 | 125.0° | 125.1° |
| C6 | N | C8 | 104.8° | 109.7° |
| N | C6 | N1 | 109.4° | 107.8° |
| N | C6 | C7 | 125.1° | 126.1° |
| N | C8 | N2 | 110.2° | 108.8° |
| N | C8 | C9 | 121.2° | 125.1° |
| C2 | S | C5 | 89.7° | 91.3° |
| S | C2 | C1 | 121.4° | 124.8° |
| S | C2 | C3 | 114.7° | 110.4° |
| S | C5 | C4 | 112.5° | 109.9° |
| CL | C16 | C11 | 120.4° | 120.1° |
| CL | C16 | C15 | 118.3° | 120.1° |
| C1 | C2 | C3 | 123.9° | 124.8° |
| C2 | C1 | H1 | 108.2° | 109.4° |
| C2 | C1 | H1A | 108.2° | 109.4° |
| N2 | N1 | C6 | 108.2° | 106.6° |
| N1 | N2 | C8 | 107.4° | 107.1° |
| N2 | N1 | HN1 | 125.9° | 126.7° |
| N1 | C6 | C7 | 125.5° | 126.1° |
| C6 | N1 | HN1 | 125.9° | 126.7° |
| C2 | C3 | C4 | 110.3° | 116.0° |
| C2 | C3 | H3 | 124.8° | 122.0° |
| N2 | C8 | C9 | 128.6° | 126.1° |
| C3 | C4 | C5 | 112.8° | 112.3° |
| C3 | C4 | C10 | 123.2° | 123.1° |
| C4 | C3 | H3 | 124.8° | 122.0° |
| C9 | N3 | C10 | 118.5° | 122.4° |
| N3 | C9 | C8 | 110.7° | 109.4° |
| N3 | C9 | H9 | 109.1° | 109.5° |
| N3 | C9 | H9A | 109.1° | 109.5° |
| N3 | C10 | C4 | 126.5° | 125.1° |
| N3 | C10 | C11 | 117.4° | 117.5° |
| C5 | C4 | C10 | 124.0° | 124.6° |
| C4 | C10 | C11 | 116.1° | 117.4° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.4° | 109.4° |
| C6 | C7 | H7B | 109.5° | 109.4° |
| C8 | C9 | H9 | 109.1° | 109.5° |
| C8 | C9 | H9A | 109.2° | 109.4° |
| C10 | C11 | C12 | 120.6° | 120.2° |
| C10 | C11 | C16 | 121.2° | 120.1° |
| C12 | C11 | C16 | 118.2° | 119.7° |
| C11 | C12 | C13 | 120.5° | 119.9° |
| C11 | C12 | H12 | 119.8° | 120.1° |
| C11 | C16 | C15 | 121.3° | 119.8° |
| C12 | C13 | C14 | 120.4° | 120.2° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C13 | C14 | C15 | 120.2° | 120.3° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | H14 | 119.9° | 119.9° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C15 | C14 | H14 | 119.9° | 119.8° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C16 | C15 | H15 | 120.3° | 119.9° |
| H | C | HA | 109.5° | 109.5° |
| H | C | HB | 109.5° | 109.5° |
| HA | C | HB | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | S | 58.2° | 90.0° |
| C | C1 | C2 | H1 | 120.7° | 120.0° |
| C | C1 | C2 | H1A | 120.8° | 120.0° |
| C | C1 | C2 | C3 | 124.0° | 90.0° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 119.9° |
| C1 | C | HA | HB | 120.0° | 120.0° |
| C | C1 | H1 | H1A | 117.8° | 120.1° |
| C5 | N | C6 | C8 | 179.3° | 179.7° |
| N | C5 | S | C2 | 178.3° | 178.3° |
| N | C5 | S | C4 | 178.8° | 180.0° |
| C5 | N | C6 | N1 | 179.3° | 179.5° |
| C5 | N | C8 | N2 | 179.7° | 179.4° |
| N | C5 | C4 | C3 | 178.1° | 177.9° |
| N | C5 | C4 | C10 | 2.3° | 3.3° |
| C5 | N | C6 | C7 | 0.4° | 0.5° |
| C5 | N | C8 | C9 | 3.1° | 1.0° |
| C6 | N | C5 | S | 40.0° | 33.8° |
| N | C6 | N1 | N2 | 0.8° | 0.1° |
| N | C6 | N1 | C7 | 178.9° | 179.9° |
| C6 | N | C8 | N2 | 1.0° | 0.4° |
| C6 | N | C5 | C4 | 141.3° | 146.2° |
| C6 | N | C8 | C9 | 176.3° | 179.2° |
| N | C6 | N1 | HN1 | 179.2° | 179.9° |
| N | C6 | C7 | H7 | 90.6° | 90.0° |
| N | C6 | C7 | H7A | 149.4° | 150.0° |
| N | C6 | C7 | H7B | 29.4° | 30.0° |
| C8 | N | C5 | S | 140.9° | 145.9° |
| N | C8 | N2 | N1 | 1.4° | 0.3° |
| C8 | N | C6 | N1 | 0.1° | 0.3° |
| N | C8 | N2 | C9 | 177.0° | 179.6° |
| N | C8 | C9 | N3 | 63.2° | 60.2° |
| C8 | N | C5 | C4 | 37.8° | 34.1° |
| C8 | N | C6 | C7 | 178.9° | 179.8° |
| N | C8 | C9 | H9 | 57.0° | 59.8° |
| N | C8 | C9 | H9A | 176.6° | 179.9° |
| S | C2 | C1 | C3 | 177.8° | 179.9° |
| S | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | S | C5 | C4 | 0.5° | 1.7° |
| S | C2 | C1 | H1 | 62.5° | 150.0° |
| S | C2 | C1 | H1A | 178.9° | 30.0° |
| S | C2 | C3 | H3 | 179.9° | 179.7° |
| C5 | S | C2 | C1 | 177.8° | 179.2° |
| C5 | S | C2 | C3 | 0.3° | 0.8° |
| S | C5 | C4 | C3 | 0.6° | 2.1° |
| S | C5 | C4 | C10 | 178.9° | 176.7° |
| CL | C16 | C11 | C10 | 4.7° | 0.1° |
| CL | C16 | C11 | C12 | 175.7° | 179.7° |
| CL | C16 | C11 | C15 | 178.2° | 179.7° |
| CL | C16 | C15 | C14 | 177.7° | 179.7° |
| CL | C16 | C15 | H15 | 2.3° | 0.0° |
| C1 | C2 | C3 | C4 | 178.0° | 179.7° |
| C2 | C1 | C | H | 180.0° | 180.0° |
| C2 | C1 | C | HA | 60.0° | 60.0° |
| C2 | C1 | C | HB | 60.0° | 60.0° |
| C2 | C1 | H1 | H1A | 117.7° | 119.9° |
| C1 | C2 | C3 | H3 | 2.0° | 0.3° |
| N2 | N1 | C6 | HN1 | 180.0° | 180.0° |
| N2 | N1 | C6 | C7 | 179.7° | 180.0° |
| N1 | N2 | C8 | C9 | 175.5° | 179.3° |
| C6 | N1 | N2 | C8 | 1.4° | 0.1° |
| N1 | C6 | C7 | H7 | 90.6° | 90.0° |
| N1 | C6 | C7 | H7A | 29.4° | 30.0° |
| N1 | C6 | C7 | H7B | 149.4° | 150.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 1.6° |
| C2 | C3 | C4 | C10 | 179.1° | 177.2° |
| C3 | C2 | C1 | H1 | 115.3° | 30.0° |
| C3 | C2 | C1 | H1A | 3.2° | 149.9° |
| N2 | C8 | C9 | N3 | 113.5° | 119.4° |
| C8 | N2 | N1 | HN1 | 178.6° | 179.8° |
| N2 | C8 | C9 | H9 | 126.3° | 120.6° |
| N2 | C8 | C9 | H9A | 6.7° | 0.6° |
| C3 | C4 | C10 | N3 | 142.3° | 144.2° |
| C3 | C4 | C5 | C10 | 179.5° | 178.8° |
| C3 | C4 | C10 | C11 | 39.3° | 35.9° |
| C9 | N3 | C10 | C4 | 4.2° | 5.0° |
| N3 | C9 | C8 | H9 | 120.2° | 120.0° |
| N3 | C9 | C8 | H9A | 120.2° | 120.0° |
| C9 | N3 | C10 | C11 | 177.3° | 175.1° |
| N3 | C9 | H9 | H9A | 119.4° | 120.1° |
| N3 | C10 | C4 | C5 | 38.2° | 37.1° |
| N3 | C10 | C4 | C11 | 178.4° | 179.9° |
| C10 | N3 | C9 | C8 | 67.6° | 62.7° |
| N3 | C10 | C11 | C12 | 122.0° | 65.6° |
| N3 | C10 | C11 | C16 | 57.6° | 114.7° |
| C10 | N3 | C9 | H9 | 52.5° | 57.3° |
| C10 | N3 | C9 | H9A | 172.2° | 177.4° |
| C5 | C4 | C10 | C11 | 140.2° | 142.8° |
| C5 | C4 | C3 | H3 | 179.5° | 178.4° |
| C4 | C10 | C11 | C12 | 56.6° | 114.5° |
| C4 | C10 | C11 | C16 | 123.9° | 65.2° |
| C10 | C4 | C3 | H3 | 0.9° | 2.8° |
| C7 | C6 | N1 | HN1 | 0.3° | 0.0° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 119.4° | 119.9° |
| C10 | C11 | C12 | C16 | 179.6° | 179.7° |
| C10 | C11 | C12 | C13 | 176.8° | 180.0° |
| C10 | C11 | C16 | C15 | 177.1° | 179.7° |
| C10 | C11 | C12 | H12 | 3.2° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.3° | 0.0° |
| C12 | C11 | C16 | C15 | 2.5° | 0.6° |
| C11 | C12 | C13 | H13 | 178.7° | 180.0° |
| C16 | C11 | C12 | C13 | 2.8° | 0.3° |
| C11 | C16 | C15 | C14 | 0.5° | 0.6° |
| C16 | C11 | C12 | H12 | 177.2° | 179.8° |
| C11 | C16 | C15 | H15 | 179.5° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.8° | 0.0° |
| C12 | C13 | C14 | H14 | 179.3° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.3° |
| C14 | C13 | C12 | H12 | 178.7° | 179.9° |
| C13 | C14 | C15 | H15 | 178.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C15 | C14 | C13 | H13 | 179.2° | 180.0° |
| C16 | C15 | C14 | H14 | 178.9° | 179.7° |
| H | C | HA | HB | 120.0° | 120.1° |
| H | C | C1 | H1 | 59.3° | 60.0° |
| H | C | C1 | H1A | 59.3° | 60.0° |
| HA | C | C1 | H1 | 60.7° | 60.0° |
| HA | C | C1 | H1A | 179.3° | 180.0° |
| HB | C | C1 | H1 | 179.3° | 180.0° |
| HB | C | C1 | H1A | 60.7° | 60.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 1.3° | 0.1° |
| H13 | C13 | C14 | H14 | 0.7° | 0.0° |
| H14 | C14 | C15 | H15 | 1.1° | 0.0° |
