X9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C | C4 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | N | sing | 1.47Å | 1.48Å | |
| C15 | C14 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C7 | N | sing | 1.39Å | 1.39Å | |
| C12 | N1 | sing | 1.47Å | 1.45Å | |
| C14 | F | sing | 1.35Å | 1.36Å | |
| N | C8 | sing | 1.47Å | 1.47Å | |
| N1 | C10 | sing | 1.47Å | 1.51Å | |
| N1 | C9 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 114.1° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.5° |
| C2 | C3 | H12 | 109.4° | 109.5° |
| C3 | C2 | H13 | 108.3° | 109.5° |
| C3 | C2 | H14 | 108.3° | 109.5° |
| C2 | C1 | C | 111.1° | 109.5° |
| C2 | C1 | H6 | 109.1° | 109.5° |
| C2 | C1 | H7 | 109.1° | 109.5° |
| C1 | C2 | H13 | 108.3° | 109.5° |
| C1 | C2 | H14 | 108.3° | 109.4° |
| O | C | C1 | 120.2° | 120.0° |
| O | C | C4 | 120.4° | 120.0° |
| C1 | C | C4 | 119.3° | 120.0° |
| C | C1 | H6 | 109.1° | 109.4° |
| C | C1 | H7 | 109.0° | 109.5° |
| C | C4 | C5 | 115.4° | 120.1° |
| C | C4 | C15 | 124.6° | 120.1° |
| C4 | C5 | C6 | 121.6° | 120.0° |
| C5 | C4 | C15 | 119.7° | 119.8° |
| C4 | C5 | H8 | 119.2° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.3° |
| C6 | C5 | H8 | 119.2° | 119.9° |
| C5 | C6 | H9 | 119.9° | 119.8° |
| C4 | C15 | C14 | 118.3° | 119.8° |
| C4 | C15 | H15 | 120.8° | 120.2° |
| C6 | C7 | C14 | 116.9° | 120.1° |
| C6 | C7 | N | 121.0° | 120.0° |
| C7 | C6 | H9 | 119.9° | 119.9° |
| C12 | C13 | N | 110.8° | 109.4° |
| C13 | C12 | N1 | 109.4° | 109.4° |
| C12 | C13 | H16 | 109.2° | 109.5° |
| C12 | C13 | H17 | 109.1° | 109.5° |
| C13 | C12 | H18 | 109.5° | 109.5° |
| C13 | C12 | H19 | 109.5° | 109.4° |
| C13 | N | C7 | 119.1° | 111.0° |
| C13 | N | C8 | 110.1° | 110.8° |
| N | C13 | H16 | 109.1° | 109.5° |
| N | C13 | H17 | 109.1° | 109.5° |
| C15 | C14 | C7 | 123.1° | 119.9° |
| C15 | C14 | F | 118.2° | 120.0° |
| C14 | C15 | H15 | 120.8° | 120.1° |
| C14 | C7 | N | 122.0° | 119.9° |
| C7 | C14 | F | 118.7° | 120.0° |
| C7 | N | C8 | 113.0° | 111.0° |
| C12 | N1 | C10 | 115.4° | 110.9° |
| C12 | N1 | C9 | 108.2° | 110.9° |
| N1 | C12 | H18 | 109.5° | 109.5° |
| N1 | C12 | H19 | 109.5° | 109.5° |
| N | C8 | C9 | 110.9° | 109.4° |
| N | C8 | H2 | 109.1° | 109.5° |
| N | C8 | H3 | 109.1° | 109.5° |
| C10 | N1 | C9 | 110.7° | 111.0° |
| N1 | C10 | C11 | 118.3° | 109.5° |
| N1 | C10 | H20 | 107.2° | 109.5° |
| N1 | C10 | H21 | 107.2° | 109.4° |
| N1 | C9 | C8 | 110.9° | 109.4° |
| N1 | C9 | H4 | 109.1° | 109.5° |
| N1 | C9 | H5 | 109.1° | 109.5° |
| C9 | C8 | H2 | 109.1° | 109.5° |
| C9 | C8 | H3 | 109.1° | 109.5° |
| C8 | C9 | H4 | 109.1° | 109.5° |
| C8 | C9 | H5 | 109.1° | 109.5° |
| C11 | C10 | H20 | 107.2° | 109.5° |
| C11 | C10 | H21 | 107.2° | 109.4° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C10 | C11 | H24 | 109.4° | 109.4° |
| H2 | C8 | H3 | 109.5° | 109.4° |
| H4 | C9 | H5 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H12 | 109.5° | 109.4° |
| H11 | C3 | H12 | 109.5° | 109.4° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H22 | C11 | H24 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H13 | 120.7° | 120.1° |
| C3 | C2 | C1 | H14 | 120.7° | 120.0° |
| C3 | C2 | C1 | C | 98.6° | 180.0° |
| C3 | C2 | C1 | H6 | 21.7° | 60.1° |
| C3 | C2 | C1 | H7 | 141.1° | 60.0° |
| C2 | C3 | H10 | H11 | 120.0° | 120.0° |
| C2 | C3 | H10 | H12 | 120.0° | 120.0° |
| C2 | C3 | H11 | H12 | 120.0° | 120.0° |
| C3 | C2 | H13 | H14 | 117.9° | 120.0° |
| C2 | C1 | C | O | 20.4° | 0.1° |
| C2 | C1 | C | H6 | 120.3° | 120.0° |
| C2 | C1 | C | H7 | 120.3° | 120.0° |
| C2 | C1 | C | C4 | 158.0° | 180.0° |
| C2 | C1 | H6 | H7 | 119.2° | 120.0° |
| C1 | C2 | C3 | H10 | 180.0° | 180.0° |
| C1 | C2 | C3 | H11 | 60.0° | 60.0° |
| C1 | C2 | C3 | H12 | 60.0° | 60.0° |
| C1 | C2 | H13 | H14 | 117.9° | 120.0° |
| O | C | C1 | C4 | 178.4° | 180.0° |
| O | C | C4 | C5 | 6.5° | 0.0° |
| O | C | C4 | C15 | 179.6° | 179.2° |
| O | C | C1 | H6 | 140.6° | 120.0° |
| O | C | C1 | H7 | 99.9° | 120.0° |
| C1 | C | C4 | C5 | 171.9° | 179.9° |
| C1 | C | C4 | C15 | 1.3° | 0.8° |
| C | C1 | H6 | H7 | 119.2° | 120.0° |
| C | C1 | C2 | H13 | 140.7° | 59.9° |
| C | C1 | C2 | H14 | 22.1° | 60.0° |
| C | C4 | C5 | C15 | 173.5° | 179.1° |
| C | C4 | C5 | C6 | 169.0° | 180.0° |
| C | C4 | C15 | C14 | 170.4° | 179.7° |
| C4 | C | C1 | H6 | 37.8° | 60.0° |
| C4 | C | C1 | H7 | 81.7° | 60.0° |
| C | C4 | C5 | H8 | 11.0° | 0.9° |
| C | C4 | C15 | H15 | 9.6° | 0.8° |
| C4 | C5 | C6 | H8 | 180.0° | 179.1° |
| C4 | C5 | C6 | C7 | 2.6° | 0.6° |
| C5 | C4 | C15 | C14 | 2.5° | 0.6° |
| C4 | C5 | C6 | H9 | 177.4° | 179.4° |
| C5 | C4 | C15 | H15 | 177.5° | 180.0° |
| C6 | C5 | C4 | C15 | 4.5° | 0.9° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | C14 | 1.2° | 0.0° |
| C5 | C6 | C7 | N | 174.2° | 179.7° |
| C4 | C15 | C14 | H15 | 180.0° | 179.5° |
| C4 | C15 | C14 | C7 | 1.4° | 0.0° |
| C4 | C15 | C14 | F | 179.1° | 180.0° |
| C15 | C4 | C5 | H8 | 175.4° | 180.0° |
| C6 | C7 | N | C13 | 20.0° | 64.1° |
| C6 | C7 | C14 | C15 | 3.2° | 0.3° |
| C6 | C7 | C14 | N | 175.3° | 179.7° |
| C6 | C7 | C14 | F | 177.3° | 179.7° |
| C6 | C7 | N | C8 | 111.5° | 59.7° |
| C7 | C6 | C5 | H8 | 177.4° | 179.7° |
| C12 | C13 | N | H16 | 120.2° | 120.0° |
| C12 | C13 | N | H17 | 120.2° | 120.0° |
| C12 | C13 | N | C7 | 171.5° | 176.9° |
| C13 | C12 | N1 | H18 | 120.0° | 120.0° |
| C13 | C12 | N1 | H19 | 120.0° | 119.9° |
| C12 | C13 | N | C8 | 55.6° | 59.3° |
| C13 | C12 | N1 | C10 | 174.0° | 176.8° |
| C13 | C12 | N1 | C9 | 61.4° | 59.3° |
| C12 | C13 | H16 | H17 | 119.4° | 120.1° |
| C13 | C12 | H18 | H19 | 120.0° | 120.0° |
| C13 | N | C7 | C14 | 155.0° | 116.2° |
| C13 | N | C7 | C8 | 131.6° | 123.7° |
| N | C13 | C12 | N1 | 60.0° | 58.4° |
| C13 | N | C8 | C9 | 54.5° | 59.3° |
| C13 | N | C8 | H2 | 174.7° | 60.7° |
| C13 | N | C8 | H3 | 65.7° | 179.3° |
| N | C13 | H16 | H17 | 119.4° | 120.1° |
| N | C13 | C12 | H18 | 180.0° | 61.6° |
| N | C13 | C12 | H19 | 60.0° | 178.4° |
| C15 | C14 | C7 | F | 179.5° | 180.0° |
| C15 | C14 | C7 | N | 172.0° | 180.0° |
| C14 | C7 | N | C8 | 73.4° | 120.1° |
| C14 | C7 | C6 | H9 | 178.8° | 180.0° |
| C7 | C14 | C15 | H15 | 178.6° | 179.5° |
| N | C7 | C14 | F | 7.5° | 0.0° |
| C7 | N | C8 | C9 | 169.6° | 176.8° |
| C7 | N | C8 | H2 | 49.4° | 63.1° |
| C7 | N | C8 | H3 | 70.2° | 56.9° |
| N | C7 | C6 | H9 | 5.9° | 0.3° |
| C7 | N | C13 | H16 | 51.3° | 63.2° |
| C7 | N | C13 | H17 | 68.3° | 56.9° |
| C12 | N1 | C10 | C9 | 123.2° | 123.8° |
| C12 | N1 | C9 | C8 | 61.1° | 59.3° |
| C12 | N1 | C10 | C11 | 61.0° | 66.3° |
| C12 | N1 | C9 | H4 | 178.7° | 179.4° |
| C12 | N1 | C9 | H5 | 59.1° | 60.6° |
| N1 | C12 | C13 | H16 | 179.8° | 61.6° |
| N1 | C12 | C13 | H17 | 60.2° | 178.4° |
| N1 | C12 | H18 | H19 | 120.0° | 120.1° |
| C12 | N1 | C10 | H20 | 177.7° | 53.8° |
| C12 | N1 | C10 | H21 | 60.2° | 173.8° |
| F | C14 | C15 | H15 | 0.9° | 0.5° |
| N | C8 | C9 | N1 | 57.9° | 58.4° |
| N | C8 | C9 | H2 | 120.2° | 120.0° |
| N | C8 | C9 | H3 | 120.2° | 120.0° |
| N | C8 | H2 | H3 | 119.3° | 120.0° |
| N | C8 | C9 | H4 | 178.1° | 178.4° |
| N | C8 | C9 | H5 | 62.3° | 61.5° |
| C8 | N | C13 | H16 | 175.9° | 60.7° |
| C8 | N | C13 | H17 | 64.5° | 179.3° |
| C10 | N1 | C9 | C8 | 171.6° | 176.9° |
| N1 | C10 | C11 | H20 | 121.2° | 120.1° |
| N1 | C10 | C11 | H21 | 121.3° | 119.9° |
| C10 | N1 | C9 | H4 | 51.4° | 56.8° |
| C10 | N1 | C9 | H5 | 68.2° | 63.2° |
| C10 | N1 | C12 | H18 | 54.1° | 63.2° |
| C10 | N1 | C12 | H19 | 66.0° | 56.9° |
| N1 | C10 | H20 | H21 | 116.0° | 120.0° |
| N1 | C10 | C11 | H22 | 180.0° | 180.0° |
| N1 | C10 | C11 | H23 | 60.0° | 59.9° |
| N1 | C10 | C11 | H24 | 60.0° | 60.1° |
| N1 | C9 | C8 | H4 | 120.2° | 120.0° |
| N1 | C9 | C8 | H5 | 120.2° | 120.0° |
| C9 | N1 | C10 | C11 | 62.2° | 170.0° |
| N1 | C9 | C8 | H2 | 178.1° | 61.6° |
| N1 | C9 | C8 | H3 | 62.3° | 178.4° |
| N1 | C9 | H4 | H5 | 119.3° | 120.0° |
| C9 | N1 | C12 | H18 | 178.6° | 60.6° |
| C9 | N1 | C12 | H19 | 58.6° | 179.2° |
| C9 | N1 | C10 | H20 | 59.0° | 69.9° |
| C9 | N1 | C10 | H21 | 176.5° | 50.1° |
| C9 | C8 | H2 | H3 | 119.3° | 120.0° |
| C8 | C9 | H4 | H5 | 119.3° | 120.1° |
| C11 | C10 | H20 | H21 | 116.0° | 120.0° |
| C10 | C11 | H22 | H23 | 120.0° | 120.1° |
| C10 | C11 | H22 | H24 | 120.0° | 119.9° |
| C10 | C11 | H23 | H24 | 120.0° | 120.0° |
| H2 | C8 | C9 | H4 | 61.7° | 58.4° |
| H2 | C8 | C9 | H5 | 57.9° | 178.4° |
| H3 | C8 | C9 | H4 | 57.9° | 61.6° |
| H3 | C8 | C9 | H5 | 177.5° | 58.4° |
| H6 | C1 | C2 | H13 | 99.0° | 60.0° |
| H6 | C1 | C2 | H14 | 142.4° | 180.0° |
| H7 | C1 | C2 | H13 | 20.4° | 180.0° |
| H7 | C1 | C2 | H14 | 98.2° | 60.0° |
| H8 | C5 | C6 | H9 | 2.6° | 0.3° |
| H10 | C3 | H11 | H12 | 120.0° | 119.9° |
| H10 | C3 | C2 | H13 | 59.4° | 59.9° |
| H10 | C3 | C2 | H14 | 59.3° | 60.1° |
| H11 | C3 | C2 | H13 | 60.7° | 180.0° |
| H11 | C3 | C2 | H14 | 179.3° | 60.0° |
| H12 | C3 | C2 | H13 | 179.3° | 60.0° |
| H12 | C3 | C2 | H14 | 60.7° | 180.0° |
| H16 | C13 | C12 | H18 | 59.8° | 178.4° |
| H16 | C13 | C12 | H19 | 60.2° | 58.4° |
| H17 | C13 | C12 | H18 | 59.8° | 58.4° |
| H17 | C13 | C12 | H19 | 179.8° | 61.6° |
| H20 | C10 | C11 | H22 | 58.7° | 60.0° |
| H20 | C10 | C11 | H23 | 178.8° | 180.0° |
| H20 | C10 | C11 | H24 | 61.3° | 60.0° |
| H21 | C10 | C11 | H22 | 58.8° | 60.0° |
| H21 | C10 | C11 | H23 | 61.3° | 60.0° |
| H21 | C10 | C11 | H24 | 178.8° | 180.0° |
| H22 | C11 | H23 | H24 | 120.0° | 120.0° |
