X5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| N15 | C14 | sing | 1.47Å | 1.47Å | |
| C17 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | N11 | sing | 1.46Å | 1.50Å | |
| C24 | C23 | sing | 1.40Å | 1.43Å | Aromatic |
| C24 | C25 | doub | 1.35Å | 1.35Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.35Å | Aromatic |
| C02 | N11 | sing | 1.35Å | 1.36Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| N11 | C10 | sing | 1.40Å | 1.40Å | |
| C25 | N26 | sing | 1.36Å | 1.38Å | Aromatic |
| C03 | O04 | sing | 1.43Å | 1.44Å | |
| C22 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | N09 | doub | 1.32Å | 1.31Å | Aromatic |
| C10 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| N09 | C08 | sing | 1.33Å | 1.34Å | Aromatic |
| N26 | C21 | sing | 1.37Å | 1.39Å | Aromatic |
| N26 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | N20 | doub | 1.33Å | 1.32Å | Aromatic |
| O04 | C05 | sing | 1.36Å | 1.38Å | |
| C05 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C08 | sing | 1.48Å | 1.45Å | |
| C18 | C19 | doub | 1.37Å | 1.37Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| N20 | C19 | sing | 1.33Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| N15 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C16 | C17 | 109.4° | 109.5° |
| C16 | N15 | C14 | 114.5° | 111.2° |
| N15 | C16 | H12 | 109.5° | 109.4° |
| N15 | C16 | H13 | 109.5° | 109.5° |
| C16 | N15 | H19 | 108.2° | 111.0° |
| C16 | C17 | C12 | 115.0° | 109.3° |
| C16 | C17 | H1 | 108.1° | 109.5° |
| C16 | C17 | H2 | 108.1° | 109.5° |
| C17 | C16 | H12 | 109.5° | 109.4° |
| C17 | C16 | H13 | 109.5° | 109.5° |
| N15 | C14 | C13 | 110.8° | 109.5° |
| N15 | C14 | H5 | 109.1° | 109.4° |
| N15 | C14 | H6 | 109.1° | 109.4° |
| C14 | N15 | H19 | 108.2° | 111.0° |
| C17 | C12 | C13 | 112.6° | 109.2° |
| C17 | C12 | N11 | 114.8° | 109.5° |
| C12 | C17 | H1 | 108.1° | 109.5° |
| C12 | C17 | H2 | 108.1° | 109.5° |
| C17 | C12 | H7 | 104.3° | 109.5° |
| C14 | C13 | C12 | 113.5° | 109.4° |
| C14 | C13 | H3 | 108.5° | 109.5° |
| C14 | C13 | H4 | 108.4° | 109.5° |
| C13 | C14 | H5 | 109.1° | 109.5° |
| C13 | C14 | H6 | 109.2° | 109.5° |
| O01 | C02 | N11 | 124.3° | 120.1° |
| O01 | C02 | C03 | 119.1° | 120.1° |
| C13 | C12 | N11 | 114.5° | 109.6° |
| C12 | C13 | H3 | 108.4° | 109.5° |
| C12 | C13 | H4 | 108.5° | 109.6° |
| C13 | C12 | H7 | 104.4° | 109.5° |
| C12 | N11 | C02 | 121.4° | 120.4° |
| C12 | N11 | C10 | 113.2° | 120.4° |
| N11 | C12 | H7 | 104.8° | 109.6° |
| C23 | C24 | C25 | 119.9° | 120.3° |
| C24 | C23 | C22 | 120.4° | 119.7° |
| C24 | C23 | H16 | 119.8° | 120.2° |
| C23 | C24 | H17 | 120.0° | 119.8° |
| C24 | C25 | N26 | 120.5° | 120.5° |
| C25 | C24 | H17 | 120.1° | 119.9° |
| C24 | C25 | H18 | 119.8° | 119.7° |
| C23 | C22 | C21 | 119.7° | 119.3° |
| C23 | C22 | H15 | 120.2° | 120.3° |
| C22 | C23 | H16 | 119.8° | 120.1° |
| N11 | C02 | C03 | 116.6° | 119.9° |
| C02 | N11 | C10 | 119.6° | 119.2° |
| C02 | C03 | O04 | 113.3° | 109.5° |
| C02 | C03 | H8 | 108.5° | 109.4° |
| C02 | C03 | H9 | 108.5° | 109.4° |
| N11 | C10 | N09 | 117.9° | 120.4° |
| N11 | C10 | C05 | 121.1° | 119.1° |
| C25 | N26 | C21 | 120.8° | 120.6° |
| C25 | N26 | C18 | 133.2° | 132.5° |
| N26 | C25 | H18 | 119.8° | 119.7° |
| C03 | O04 | C05 | 114.2° | 116.6° |
| O04 | C03 | H8 | 108.5° | 109.5° |
| O04 | C03 | H9 | 108.5° | 109.5° |
| C22 | C21 | N26 | 118.8° | 119.6° |
| C22 | C21 | N20 | 130.4° | 132.1° |
| C21 | C22 | H15 | 120.2° | 120.3° |
| N09 | C10 | C05 | 121.0° | 120.5° |
| C10 | N09 | C08 | 122.1° | 121.5° |
| C10 | C05 | O04 | 120.2° | 119.7° |
| C10 | C05 | C06 | 118.2° | 119.6° |
| N09 | C08 | C18 | 115.6° | 119.6° |
| N09 | C08 | C07 | 119.9° | 120.7° |
| C21 | N26 | C18 | 106.0° | 106.9° |
| N26 | C21 | N20 | 110.8° | 108.3° |
| N26 | C18 | C08 | 128.0° | 126.6° |
| N26 | C18 | C19 | 105.6° | 106.8° |
| C21 | N20 | C19 | 106.5° | 109.5° |
| O04 | C05 | C06 | 121.6° | 120.7° |
| C05 | C06 | C07 | 120.2° | 118.4° |
| C05 | C06 | H10 | 119.9° | 120.8° |
| C08 | C18 | C19 | 126.0° | 126.6° |
| C18 | C08 | C07 | 124.2° | 119.6° |
| C18 | C19 | N20 | 111.0° | 108.5° |
| C18 | C19 | H14 | 124.5° | 125.7° |
| C08 | C07 | C06 | 118.5° | 119.2° |
| C08 | C07 | H11 | 120.8° | 120.4° |
| N20 | C19 | H14 | 124.5° | 125.8° |
| C07 | C06 | H10 | 119.9° | 120.8° |
| C06 | C07 | H11 | 120.7° | 120.4° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.4° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C16 | C17 | H12 | 120.0° | 120.0° |
| N15 | C16 | C17 | H13 | 120.0° | 120.0° |
| C16 | N15 | C14 | H19 | 120.7° | 124.0° |
| N15 | C16 | C17 | C12 | 49.9° | 59.2° |
| C16 | N15 | C14 | C13 | 59.5° | 61.7° |
| N15 | C16 | C17 | H1 | 170.7° | 60.8° |
| N15 | C16 | C17 | H2 | 70.9° | 179.2° |
| C16 | N15 | C14 | H5 | 179.7° | 58.3° |
| C16 | N15 | C14 | H6 | 60.8° | 178.2° |
| N15 | C16 | H12 | H13 | 120.0° | 120.0° |
| C17 | C16 | N15 | C14 | 58.7° | 61.7° |
| C16 | C17 | C12 | H1 | 120.8° | 120.0° |
| C16 | C17 | C12 | H2 | 120.8° | 120.0° |
| C16 | C17 | C12 | C13 | 43.3° | 57.6° |
| C16 | C17 | C12 | N11 | 176.6° | 177.6° |
| C16 | C17 | H1 | H2 | 117.4° | 120.1° |
| C16 | C17 | C12 | H7 | 69.3° | 62.2° |
| C17 | C16 | H12 | H13 | 120.0° | 120.0° |
| C17 | C16 | N15 | H19 | 62.0° | 62.3° |
| N15 | C14 | C13 | H5 | 120.2° | 119.9° |
| N15 | C14 | C13 | H6 | 120.2° | 120.0° |
| N15 | C14 | C13 | C12 | 49.8° | 59.2° |
| N15 | C14 | C13 | H3 | 70.7° | 60.8° |
| N15 | C14 | C13 | H4 | 170.5° | 179.2° |
| N15 | C14 | H5 | H6 | 119.4° | 119.9° |
| C14 | N15 | C16 | H12 | 61.3° | 178.3° |
| C14 | N15 | C16 | H13 | 178.7° | 58.3° |
| C17 | C12 | C13 | C14 | 42.6° | 57.6° |
| C17 | C12 | C13 | N11 | 133.5° | 119.9° |
| C17 | C12 | C13 | H7 | 112.5° | 119.9° |
| C17 | C12 | N11 | H7 | 113.8° | 120.1° |
| C17 | C12 | N11 | C02 | 75.4° | 60.0° |
| C17 | C12 | N11 | C10 | 131.5° | 120.0° |
| C12 | C17 | H1 | H2 | 117.5° | 120.1° |
| C17 | C12 | C13 | H3 | 78.0° | 62.3° |
| C17 | C12 | C13 | H4 | 163.2° | 177.6° |
| C12 | C17 | C16 | H12 | 70.1° | 179.2° |
| C12 | C17 | C16 | H13 | 169.9° | 60.8° |
| C14 | C13 | C12 | H3 | 120.6° | 120.0° |
| C14 | C13 | C12 | H4 | 120.6° | 120.0° |
| C14 | C13 | C12 | N11 | 176.1° | 177.6° |
| C14 | C13 | H3 | H4 | 118.1° | 120.0° |
| C13 | C14 | H5 | H6 | 119.4° | 120.1° |
| C14 | C13 | C12 | H7 | 69.9° | 62.2° |
| C13 | C14 | N15 | H19 | 61.3° | 62.3° |
| O01 | C02 | N11 | C12 | 19.9° | 1.8° |
| O01 | C02 | N11 | C03 | 179.0° | 179.8° |
| O01 | C02 | N11 | C10 | 171.4° | 178.1° |
| O01 | C02 | C03 | O04 | 143.8° | 148.5° |
| O01 | C02 | C03 | H8 | 95.7° | 91.5° |
| O01 | C02 | C03 | H9 | 23.2° | 28.5° |
| C13 | C12 | N11 | H7 | 113.7° | 120.2° |
| C13 | C12 | N11 | C02 | 57.1° | 59.7° |
| C13 | C12 | N11 | C10 | 96.1° | 120.3° |
| C13 | C12 | C17 | H1 | 164.1° | 62.3° |
| C13 | C12 | C17 | H2 | 77.6° | 177.6° |
| C12 | C13 | H3 | H4 | 118.2° | 120.1° |
| C12 | C13 | C14 | H5 | 170.0° | 60.8° |
| C12 | C13 | C14 | H6 | 70.4° | 179.2° |
| C12 | N11 | C02 | C10 | 151.5° | 180.0° |
| C12 | N11 | C02 | C03 | 159.1° | 178.4° |
| C12 | N11 | C10 | N09 | 36.5° | 15.4° |
| C12 | N11 | C10 | C05 | 142.8° | 164.4° |
| N11 | C12 | C17 | H1 | 62.5° | 57.6° |
| N11 | C12 | C17 | H2 | 55.8° | 62.5° |
| N11 | C12 | C13 | H3 | 55.5° | 57.6° |
| N11 | C12 | C13 | H4 | 63.3° | 62.4° |
| C23 | C24 | C25 | H17 | 180.0° | 179.6° |
| C24 | C23 | C22 | H16 | 180.0° | 179.9° |
| C23 | C24 | C25 | N26 | 0.5° | 0.5° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C24 | C23 | C22 | H15 | 179.6° | 180.0° |
| C23 | C24 | C25 | H18 | 179.5° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.4° |
| C24 | C25 | N26 | H18 | 180.0° | 179.5° |
| C24 | C25 | N26 | C21 | 1.0° | 0.2° |
| C24 | C25 | N26 | C18 | 178.4° | 179.3° |
| C25 | C24 | C23 | H16 | 179.8° | 179.7° |
| C23 | C22 | C21 | H15 | 180.0° | 180.0° |
| C23 | C22 | C21 | N26 | 1.0° | 0.3° |
| C23 | C22 | C21 | N20 | 179.4° | 180.0° |
| C22 | C23 | C24 | H17 | 179.8° | 180.0° |
| N11 | C02 | C03 | O04 | 35.3° | 31.2° |
| C02 | N11 | C10 | N09 | 169.8° | 164.6° |
| C02 | N11 | C10 | C05 | 10.9° | 15.5° |
| C02 | N11 | C12 | H7 | 170.8° | 179.8° |
| N11 | C02 | C03 | H8 | 85.3° | 88.8° |
| N11 | C02 | C03 | H9 | 155.9° | 151.2° |
| C03 | C02 | N11 | C10 | 7.6° | 1.6° |
| C02 | C03 | O04 | H8 | 120.5° | 120.0° |
| C02 | C03 | O04 | H9 | 120.6° | 120.0° |
| C02 | C03 | O04 | C05 | 44.9° | 46.1° |
| C02 | C03 | H8 | H9 | 118.2° | 119.9° |
| N11 | C10 | N09 | C05 | 179.3° | 179.9° |
| N11 | C10 | N09 | C08 | 178.7° | 179.9° |
| N11 | C10 | C05 | O04 | 0.4° | 0.2° |
| N11 | C10 | C05 | C06 | 178.9° | 179.9° |
| C10 | N11 | C12 | H7 | 17.6° | 0.1° |
| C25 | N26 | C21 | C22 | 1.3° | 0.2° |
| C25 | N26 | C21 | C18 | 179.6° | 179.6° |
| C25 | N26 | C21 | N20 | 180.0° | 180.0° |
| C25 | N26 | C18 | C08 | 6.0° | 0.3° |
| C25 | N26 | C18 | C19 | 178.8° | 180.0° |
| N26 | C25 | C24 | H17 | 179.6° | 179.9° |
| C03 | O04 | C05 | C10 | 28.3° | 32.6° |
| C03 | O04 | C05 | C06 | 152.4° | 147.3° |
| O04 | C03 | H8 | H9 | 118.2° | 120.0° |
| C22 | C21 | N26 | N20 | 178.7° | 179.8° |
| C22 | C21 | N26 | C18 | 178.3° | 179.8° |
| C22 | C21 | N20 | C19 | 179.6° | 180.0° |
| C21 | C22 | C23 | H16 | 179.5° | 180.0° |
| N09 | C10 | C05 | O04 | 179.7° | 179.9° |
| N09 | C10 | C05 | C06 | 0.4° | 0.0° |
| C10 | N09 | C08 | C18 | 177.3° | 180.0° |
| C10 | N09 | C08 | C07 | 3.8° | 0.0° |
| C05 | C10 | N09 | C08 | 2.0° | 0.0° |
| C10 | C05 | O04 | C06 | 179.3° | 179.9° |
| C10 | C05 | C06 | C07 | 0.9° | 0.0° |
| C10 | C05 | C06 | H10 | 179.1° | 180.0° |
| N09 | C08 | C18 | N26 | 3.9° | 171.9° |
| N09 | C08 | C18 | C07 | 173.2° | 180.0° |
| N09 | C08 | C18 | C19 | 167.5° | 7.7° |
| N09 | C08 | C07 | C06 | 3.1° | 0.0° |
| N09 | C08 | C07 | H11 | 176.9° | 180.0° |
| C21 | N26 | C18 | C08 | 174.4° | 179.8° |
| C21 | N26 | C18 | C19 | 1.7° | 0.4° |
| N26 | C21 | N20 | C19 | 1.1° | 0.2° |
| N26 | C21 | C22 | H15 | 179.0° | 179.7° |
| C21 | N26 | C25 | H18 | 178.9° | 179.7° |
| C18 | N26 | C21 | N20 | 0.4° | 0.4° |
| N26 | C18 | C08 | C19 | 171.3° | 179.7° |
| N26 | C18 | C08 | C07 | 177.1° | 8.1° |
| N26 | C18 | C19 | N20 | 2.4° | 0.3° |
| N26 | C18 | C19 | H14 | 177.5° | 179.8° |
| C18 | N26 | C25 | H18 | 1.6° | 0.2° |
| C21 | N20 | C19 | C18 | 2.2° | 0.0° |
| C21 | N20 | C19 | H14 | 177.8° | 180.0° |
| N20 | C21 | C22 | H15 | 0.6° | 0.0° |
| O04 | C05 | C06 | C07 | 179.8° | 179.9° |
| C05 | O04 | C03 | H8 | 75.7° | 73.9° |
| C05 | O04 | C03 | H9 | 165.5° | 166.1° |
| O04 | C05 | C06 | H10 | 0.2° | 0.1° |
| C05 | C06 | C07 | C08 | 0.8° | 0.0° |
| C05 | C06 | C07 | H10 | 180.0° | 180.0° |
| C05 | C06 | C07 | H11 | 179.2° | 180.0° |
| C08 | C18 | C19 | N20 | 175.4° | 180.0° |
| C18 | C08 | C07 | C06 | 176.1° | 180.0° |
| C18 | C08 | C07 | H11 | 3.9° | 0.0° |
| C08 | C18 | C19 | H14 | 4.6° | 0.1° |
| C19 | C18 | C08 | C07 | 5.8° | 172.2° |
| C18 | C19 | N20 | H14 | 180.0° | 179.9° |
| C08 | C07 | C06 | H11 | 180.0° | 180.0° |
| C08 | C07 | C06 | H10 | 179.2° | 180.0° |
| H1 | C17 | C12 | H7 | 51.5° | 177.8° |
| H1 | C17 | C16 | H12 | 50.7° | 59.2° |
| H1 | C17 | C16 | H13 | 69.3° | 179.2° |
| H2 | C17 | C12 | H7 | 169.9° | 57.7° |
| H2 | C17 | C16 | H12 | 169.1° | 60.9° |
| H2 | C17 | C16 | H13 | 49.1° | 59.1° |
| H3 | C13 | C14 | H5 | 49.5° | 179.3° |
| H3 | C13 | C14 | H6 | 169.0° | 59.2° |
| H3 | C13 | C12 | H7 | 169.5° | 177.8° |
| H4 | C13 | C14 | H5 | 69.3° | 59.3° |
| H4 | C13 | C14 | H6 | 50.3° | 60.8° |
| H4 | C13 | C12 | H7 | 50.7° | 57.8° |
| H5 | C14 | N15 | H19 | 59.0° | 177.7° |
| H6 | C14 | N15 | H19 | 178.5° | 57.7° |
| H10 | C06 | C07 | H11 | 0.8° | 0.0° |
| H12 | C16 | N15 | H19 | 178.0° | 57.7° |
| H13 | C16 | N15 | H19 | 58.0° | 177.6° |
| H15 | C22 | C23 | H16 | 0.5° | 0.0° |
| H16 | C23 | C24 | H17 | 0.2° | 0.0° |
| H17 | C24 | C25 | H18 | 0.5° | 0.4° |






