2N8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL26 | C24 | sing | 1.74Å | 1.76Å | |
| O29 | S27 | doub | 1.42Å | 1.43Å | |
| O30 | S27 | doub | 1.42Å | 1.44Å | |
| S27 | C23 | sing | 1.76Å | 1.59Å | |
| S27 | C28 | sing | 1.81Å | 1.65Å | |
| C24 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.28Å | Aromatic |
| C25 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | C3 | sing | 1.55Å | 1.53Å | |
| O13 | C11 | doub | 1.21Å | 1.22Å | |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C21 | sing | 1.38Å | 1.28Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C5 | C1 | sing | 1.52Å | 1.51Å | |
| C3 | C8 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C9 | sing | 1.51Å | 1.50Å | |
| C11 | N14 | sing | 1.35Å | 1.34Å | |
| C20 | N19 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| N19 | C18 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | O6 | doub | 1.21Å | 1.22Å | |
| N14 | C15 | sing | 1.39Å | 1.36Å | |
| C15 | N16 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL26 | C24 | C23 | 121.3° | 120.0° |
| CL26 | C24 | C25 | 116.0° | 120.0° |
| O29 | S27 | O30 | 109.9° | 121.0° |
| O29 | S27 | C23 | 111.6° | 104.2° |
| O29 | S27 | C28 | 107.5° | 110.5° |
| O30 | S27 | C23 | 107.1° | 104.3° |
| O30 | S27 | C28 | 109.8° | 110.6° |
| C23 | S27 | C28 | 111.0° | 104.4° |
| S27 | C23 | C24 | 125.2° | 120.0° |
| S27 | C23 | C22 | 125.2° | 120.0° |
| S27 | C28 | H1 | 109.5° | 109.5° |
| S27 | C28 | H2 | 109.5° | 109.5° |
| S27 | C28 | H3 | 109.5° | 109.4° |
| C23 | C24 | C25 | 122.7° | 120.0° |
| C24 | C23 | C22 | 109.5° | 120.0° |
| C24 | C25 | C10 | 124.3° | 120.0° |
| C24 | C25 | H6 | 117.8° | 120.0° |
| C23 | C22 | C21 | 124.8° | 120.0° |
| C23 | C22 | H4 | 117.6° | 120.0° |
| C25 | C10 | C21 | 109.6° | 120.0° |
| C25 | C10 | C9 | 124.4° | 120.0° |
| C10 | C25 | H6 | 117.9° | 120.0° |
| C5 | C4 | C3 | 107.7° | 102.4° |
| C4 | C5 | C1 | 102.6° | 104.4° |
| C5 | C4 | H11 | 109.9° | 110.9° |
| C5 | C4 | H12 | 109.9° | 110.8° |
| C4 | C5 | H13 | 111.1° | 110.5° |
| C4 | C5 | H14 | 111.2° | 110.5° |
| C4 | C3 | C8 | 110.7° | 110.6° |
| C4 | C3 | C2 | 106.4° | 103.8° |
| C4 | C3 | H10 | 109.3° | 110.7° |
| C3 | C4 | H11 | 109.9° | 110.9° |
| C3 | C4 | H12 | 109.9° | 110.8° |
| O13 | C11 | C9 | 118.3° | 120.0° |
| O13 | C11 | N14 | 126.3° | 120.0° |
| C22 | C21 | C10 | 123.0° | 120.1° |
| C21 | C22 | H4 | 117.6° | 120.0° |
| C22 | C21 | H5 | 118.5° | 119.9° |
| C21 | C10 | C9 | 125.9° | 120.0° |
| C10 | C21 | H5 | 118.6° | 120.0° |
| C10 | C9 | C8 | 112.1° | 109.4° |
| C10 | C9 | C11 | 110.7° | 109.4° |
| C10 | C9 | H7 | 108.0° | 109.5° |
| C5 | C1 | C2 | 114.0° | 107.3° |
| C5 | C1 | O6 | 123.1° | 126.4° |
| C1 | C5 | H13 | 111.2° | 110.4° |
| C1 | C5 | H14 | 111.2° | 110.4° |
| C8 | C3 | C2 | 111.6° | 110.6° |
| C3 | C8 | C9 | 113.4° | 109.4° |
| C3 | C8 | H8 | 108.5° | 109.5° |
| C3 | C8 | H9 | 108.5° | 109.5° |
| C8 | C3 | H10 | 109.5° | 110.5° |
| C3 | C2 | C1 | 102.3° | 106.9° |
| C2 | C3 | H10 | 109.3° | 110.6° |
| C3 | C2 | H15 | 111.2° | 110.0° |
| C3 | C2 | H16 | 111.3° | 110.0° |
| C8 | C9 | C11 | 110.1° | 109.5° |
| C8 | C9 | H7 | 107.8° | 109.5° |
| C9 | C8 | H8 | 108.5° | 109.5° |
| C9 | C8 | H9 | 108.5° | 109.4° |
| C9 | C11 | N14 | 115.4° | 120.0° |
| C11 | C9 | H7 | 108.1° | 109.5° |
| C11 | N14 | C15 | 127.3° | 120.0° |
| C11 | N14 | H17 | 116.3° | 120.0° |
| N19 | C20 | C15 | 120.7° | 119.8° |
| C20 | N19 | C18 | 121.0° | 120.1° |
| N19 | C20 | H20 | 119.6° | 120.1° |
| C20 | C15 | N14 | 123.3° | 120.1° |
| C20 | C15 | N16 | 118.3° | 119.9° |
| C15 | C20 | H20 | 119.6° | 120.1° |
| N19 | C18 | C17 | 118.8° | 120.2° |
| N19 | C18 | H19 | 120.6° | 120.0° |
| C2 | C1 | O6 | 122.9° | 126.4° |
| C1 | C2 | H15 | 111.3° | 110.0° |
| C1 | C2 | H16 | 111.3° | 110.0° |
| N14 | C15 | N16 | 118.4° | 120.1° |
| C15 | N14 | H17 | 116.4° | 120.0° |
| C15 | N16 | C17 | 120.8° | 119.9° |
| C18 | C17 | N16 | 120.3° | 120.0° |
| C18 | C17 | H18 | 119.9° | 120.0° |
| C17 | C18 | H19 | 120.6° | 119.8° |
| N16 | C17 | H18 | 119.8° | 120.0° |
| H1 | C28 | H2 | 109.5° | 109.5° |
| H1 | C28 | H3 | 109.4° | 109.5° |
| H2 | C28 | H3 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 110.9° |
| H13 | C5 | H14 | 109.5° | 110.5° |
| H15 | C2 | H16 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL26 | C24 | C23 | S27 | 4.7° | 0.1° |
| CL26 | C24 | C23 | C25 | 180.0° | 179.9° |
| CL26 | C24 | C23 | C22 | 173.1° | 179.7° |
| CL26 | C24 | C25 | C10 | 179.6° | 179.9° |
| CL26 | C24 | C25 | H6 | 0.5° | 0.0° |
| O29 | S27 | O30 | C23 | 121.4° | 116.7° |
| O29 | S27 | O30 | C28 | 118.0° | 131.6° |
| O29 | S27 | C23 | C28 | 119.9° | 116.0° |
| O29 | S27 | C23 | C24 | 43.6° | 178.6° |
| O29 | S27 | C23 | C22 | 139.0° | 1.1° |
| O29 | S27 | C28 | H1 | 180.0° | 51.6° |
| O29 | S27 | C28 | H2 | 60.0° | 171.6° |
| O29 | S27 | C28 | H3 | 60.0° | 68.4° |
| O30 | S27 | C23 | C28 | 119.8° | 116.1° |
| O30 | S27 | C23 | C24 | 76.8° | 50.8° |
| O30 | S27 | C23 | C22 | 100.7° | 128.9° |
| O30 | S27 | C28 | H1 | 60.5° | 171.6° |
| O30 | S27 | C28 | H2 | 59.6° | 51.6° |
| O30 | S27 | C28 | H3 | 179.5° | 68.4° |
| S27 | C23 | C24 | C22 | 177.8° | 179.7° |
| S27 | C23 | C24 | C25 | 175.3° | 180.0° |
| S27 | C23 | C22 | C21 | 160.0° | 180.0° |
| C23 | S27 | C28 | H1 | 57.7° | 60.0° |
| C23 | S27 | C28 | H2 | 177.7° | 60.1° |
| C23 | S27 | C28 | H3 | 62.3° | 180.0° |
| S27 | C23 | C22 | H4 | 20.0° | 0.0° |
| C28 | S27 | C23 | C24 | 163.4° | 65.3° |
| C28 | S27 | C23 | C22 | 19.1° | 115.0° |
| S27 | C28 | H1 | H2 | 120.0° | 120.0° |
| S27 | C28 | H1 | H3 | 120.0° | 120.0° |
| S27 | C28 | H2 | H3 | 120.0° | 119.9° |
| C23 | C24 | C25 | C10 | 0.4° | 0.0° |
| C24 | C23 | C22 | C21 | 22.2° | 0.3° |
| C24 | C23 | C22 | H4 | 157.8° | 179.7° |
| C23 | C24 | C25 | H6 | 179.5° | 180.0° |
| C25 | C24 | C23 | C22 | 6.9° | 0.3° |
| C24 | C25 | C10 | H6 | 180.0° | 180.0° |
| C24 | C25 | C10 | C21 | 6.6° | 0.3° |
| C24 | C25 | C10 | C9 | 175.9° | 180.0° |
| C23 | C22 | C21 | H4 | 180.0° | 179.9° |
| C23 | C22 | C21 | C10 | 33.3° | 0.0° |
| C23 | C22 | C21 | H5 | 146.7° | 180.0° |
| C25 | C10 | C21 | C22 | 21.2° | 0.3° |
| C25 | C10 | C21 | C9 | 177.5° | 179.7° |
| C25 | C10 | C9 | C8 | 48.5° | 120.0° |
| C25 | C10 | C9 | C11 | 74.7° | 120.0° |
| C25 | C10 | C21 | H5 | 158.8° | 179.7° |
| C25 | C10 | C9 | H7 | 167.1° | 0.0° |
| C5 | C4 | C3 | H11 | 119.7° | 118.3° |
| C5 | C4 | C3 | H12 | 119.7° | 118.2° |
| C4 | C5 | C1 | H13 | 118.9° | 118.7° |
| C4 | C5 | C1 | H14 | 118.9° | 118.8° |
| C5 | C4 | C3 | C8 | 147.8° | 155.7° |
| C5 | C4 | C3 | C2 | 26.4° | 37.1° |
| C4 | C5 | C1 | C2 | 0.8° | 23.8° |
| C4 | C5 | C1 | O6 | 179.7° | 156.3° |
| C5 | C4 | C3 | H10 | 91.5° | 81.6° |
| C5 | C4 | H11 | H12 | 120.8° | 123.5° |
| C4 | C5 | H13 | H14 | 123.2° | 122.5° |
| C3 | C4 | C5 | C1 | 15.6° | 37.6° |
| C4 | C3 | C8 | C2 | 118.3° | 114.4° |
| C4 | C3 | C8 | H10 | 120.6° | 122.8° |
| C4 | C3 | C2 | H10 | 117.9° | 118.7° |
| C4 | C3 | C8 | C9 | 171.6° | 179.1° |
| C4 | C3 | C2 | C1 | 25.3° | 23.1° |
| C4 | C3 | C8 | H8 | 67.9° | 59.1° |
| C4 | C3 | C8 | H9 | 51.0° | 61.0° |
| C3 | C4 | H11 | H12 | 120.8° | 123.5° |
| C3 | C4 | C5 | H13 | 103.3° | 81.1° |
| C3 | C4 | C5 | H14 | 134.5° | 156.3° |
| C4 | C3 | C2 | H15 | 93.6° | 96.3° |
| C4 | C3 | C2 | H16 | 144.1° | 142.5° |
| O13 | C11 | C9 | C10 | 34.7° | 1.6° |
| O13 | C11 | C9 | C8 | 89.8° | 121.5° |
| O13 | C11 | C9 | N14 | 179.8° | 179.9° |
| O13 | C11 | N14 | C15 | 0.4° | 3.4° |
| O13 | C11 | C9 | H7 | 152.7° | 118.4° |
| O13 | C11 | N14 | H17 | 179.7° | 176.6° |
| C22 | C21 | C10 | H5 | 180.0° | 180.0° |
| C22 | C21 | C10 | C9 | 161.3° | 180.0° |
| C21 | C10 | C9 | C8 | 128.6° | 60.3° |
| C21 | C10 | C9 | C11 | 108.2° | 59.7° |
| C10 | C21 | C22 | H4 | 146.7° | 180.0° |
| C21 | C10 | C25 | H6 | 173.5° | 179.7° |
| C21 | C10 | C9 | H7 | 10.0° | 179.7° |
| C10 | C9 | C8 | C3 | 55.0° | 62.7° |
| C10 | C9 | C8 | C11 | 123.6° | 119.9° |
| C10 | C9 | C8 | H7 | 118.7° | 120.0° |
| C10 | C9 | C11 | H7 | 118.1° | 120.1° |
| C10 | C9 | C11 | N14 | 145.2° | 178.4° |
| C9 | C10 | C21 | H5 | 18.7° | 0.0° |
| C9 | C10 | C25 | H6 | 4.1° | 0.0° |
| C10 | C9 | C8 | H8 | 175.6° | 57.3° |
| C10 | C9 | C8 | H9 | 65.6° | 177.3° |
| C5 | C1 | C2 | C3 | 16.4° | 0.3° |
| C5 | C1 | C2 | O6 | 178.9° | 180.0° |
| C1 | C5 | C4 | H11 | 104.1° | 155.9° |
| C1 | C5 | C4 | H12 | 135.3° | 80.6° |
| C1 | C5 | H13 | H14 | 123.3° | 122.4° |
| C5 | C1 | C2 | H15 | 102.4° | 119.7° |
| C5 | C1 | C2 | H16 | 135.3° | 119.0° |
| C8 | C3 | C2 | H10 | 121.2° | 122.7° |
| C3 | C8 | C9 | H8 | 120.6° | 120.0° |
| C3 | C8 | C9 | H9 | 120.6° | 120.0° |
| C3 | C8 | C9 | C11 | 178.6° | 177.4° |
| C8 | C3 | C2 | C1 | 146.1° | 141.7° |
| C3 | C8 | C9 | H7 | 63.7° | 57.3° |
| C3 | C8 | H8 | H9 | 118.2° | 120.0° |
| C8 | C3 | C4 | H11 | 28.1° | 86.1° |
| C8 | C3 | C4 | H12 | 92.5° | 37.5° |
| C8 | C3 | C2 | H15 | 27.3° | 22.3° |
| C8 | C3 | C2 | H16 | 95.0° | 99.0° |
| C2 | C3 | C8 | C9 | 70.1° | 66.5° |
| C3 | C2 | C1 | H15 | 118.8° | 119.4° |
| C3 | C2 | C1 | H16 | 118.9° | 119.3° |
| C3 | C2 | C1 | O6 | 164.7° | 179.7° |
| C2 | C3 | C8 | H8 | 50.4° | 173.5° |
| C2 | C3 | C8 | H9 | 169.3° | 53.4° |
| C2 | C3 | C4 | H11 | 93.3° | 155.3° |
| C2 | C3 | C4 | H12 | 146.1° | 81.1° |
| C3 | C2 | H15 | H16 | 123.3° | 121.3° |
| C8 | C9 | C11 | H7 | 117.5° | 120.0° |
| C8 | C9 | C11 | N14 | 90.4° | 58.5° |
| C9 | C8 | H8 | H9 | 118.2° | 120.0° |
| C9 | C8 | C3 | H10 | 51.0° | 56.3° |
| C9 | C11 | N14 | C15 | 179.5° | 176.7° |
| C11 | C9 | C8 | H8 | 60.8° | 62.6° |
| C11 | C9 | C8 | H9 | 58.0° | 57.4° |
| C9 | C11 | N14 | H17 | 0.5° | 3.3° |
| C11 | N14 | C15 | C20 | 0.8° | 20.8° |
| C11 | N14 | C15 | H17 | 180.0° | 180.0° |
| C11 | N14 | C15 | N16 | 178.5° | 158.9° |
| N14 | C11 | C9 | H7 | 27.1° | 61.5° |
| N19 | C20 | C15 | H20 | 180.0° | 179.4° |
| N19 | C20 | C15 | N14 | 179.9° | 179.7° |
| N19 | C20 | C15 | N16 | 0.7° | 0.7° |
| C20 | N19 | C18 | C17 | 0.8° | 0.3° |
| C20 | N19 | C18 | H19 | 179.2° | 179.8° |
| C15 | C20 | N19 | C18 | 0.4° | 0.6° |
| C20 | C15 | N14 | N16 | 179.4° | 179.7° |
| C20 | C15 | N16 | C17 | 1.5° | 0.4° |
| C20 | C15 | N14 | H17 | 179.1° | 159.3° |
| N19 | C18 | C17 | H19 | 180.0° | 180.0° |
| N19 | C18 | C17 | N16 | 0.0° | 0.0° |
| N19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | N19 | C20 | H20 | 179.6° | 180.0° |
| C1 | C2 | C3 | H10 | 92.7° | 95.6° |
| C2 | C1 | C5 | H13 | 119.6° | 95.0° |
| C2 | C1 | C5 | H14 | 118.1° | 142.5° |
| C1 | C2 | H15 | H16 | 123.4° | 121.3° |
| O6 | C1 | C5 | H13 | 61.5° | 85.0° |
| O6 | C1 | C5 | H14 | 60.8° | 37.5° |
| O6 | C1 | C2 | H15 | 76.5° | 60.3° |
| O6 | C1 | C2 | H16 | 45.8° | 61.0° |
| N14 | C15 | N16 | C17 | 179.1° | 180.0° |
| N14 | C15 | C20 | H20 | 0.1° | 0.3° |
| C15 | N16 | C17 | C18 | 1.1° | 0.1° |
| N16 | C15 | N14 | H17 | 1.5° | 21.1° |
| C15 | N16 | C17 | H18 | 178.9° | 180.0° |
| N16 | C15 | C20 | H20 | 179.3° | 180.0° |
| C18 | C17 | N16 | H18 | 180.0° | 180.0° |
| N16 | C17 | C18 | H19 | 180.0° | 180.0° |
| H1 | C28 | H2 | H3 | 120.0° | 120.0° |
| H4 | C22 | C21 | H5 | 33.3° | 0.0° |
| H7 | C9 | C8 | H8 | 56.9° | 177.4° |
| H7 | C9 | C8 | H9 | 175.7° | 62.6° |
| H8 | C8 | C3 | H10 | 171.6° | 63.7° |
| H9 | C8 | C3 | H10 | 69.6° | 176.2° |
| H10 | C3 | C4 | H11 | 148.7° | 36.7° |
| H10 | C3 | C4 | H12 | 28.2° | 160.2° |
| H10 | C3 | C2 | H15 | 148.5° | 145.0° |
| H10 | C3 | C2 | H16 | 26.2° | 23.8° |
| H11 | C4 | C5 | H13 | 137.0° | 37.2° |
| H11 | C4 | C5 | H14 | 14.8° | 85.4° |
| H12 | C4 | C5 | H13 | 16.4° | 160.7° |
| H12 | C4 | C5 | H14 | 105.8° | 38.1° |
| H18 | C17 | C18 | H19 | 0.0° | 0.0° |
