F9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C2 | sing | 1.89Å | 1.90Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | N | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| O | C8 | doub | 1.21Å | 1.21Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| N2 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| N1 | C6 | doub | 1.30Å | 1.32Å | Aromatic |
| C10 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | H18 | sing | 1.01Å | 1.00Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C2 | C3 | 119.1° | 120.2° |
| BR | C2 | C1 | 119.8° | 120.2° |
| C2 | C3 | N | 123.0° | 121.3° |
| C3 | C2 | C1 | 121.1° | 119.6° |
| C2 | C3 | H1 | 118.5° | 119.3° |
| C3 | N | C4 | 115.0° | 121.6° |
| N | C3 | H1 | 118.5° | 119.3° |
| C2 | C1 | C | 122.3° | 120.9° |
| C2 | C1 | C5 | 117.1° | 118.1° |
| N | C4 | C5 | 127.1° | 120.4° |
| N | C4 | N2 | 127.2° | 133.8° |
| C | C1 | C5 | 120.5° | 120.9° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.4° | 109.5° |
| C1 | C | H12 | 109.4° | 109.5° |
| C1 | C5 | C4 | 116.6° | 119.0° |
| C1 | C5 | N1 | 132.6° | 133.9° |
| C5 | C4 | N2 | 105.6° | 105.8° |
| C4 | C5 | N1 | 110.8° | 107.1° |
| C4 | N2 | C7 | 127.4° | 126.3° |
| C4 | N2 | C6 | 105.9° | 107.5° |
| C5 | N1 | C6 | 103.7° | 109.5° |
| C11 | N3 | C10 | 110.2° | 111.2° |
| N3 | C11 | C12 | 110.8° | 109.5° |
| N3 | C11 | H3 | 109.1° | 109.5° |
| N3 | C11 | H4 | 109.1° | 109.5° |
| C11 | N3 | H18 | 109.3° | 111.0° |
| N3 | C10 | C9 | 112.6° | 109.5° |
| N3 | C10 | C14 | 106.2° | 109.5° |
| N3 | C10 | H13 | 108.6° | 109.5° |
| C10 | N3 | H18 | 109.3° | 111.0° |
| C11 | C12 | C13 | 108.7° | 109.3° |
| C12 | C11 | H3 | 109.2° | 109.4° |
| C12 | C11 | H4 | 109.2° | 109.4° |
| C11 | C12 | H5 | 109.7° | 109.5° |
| C11 | C12 | H6 | 109.7° | 109.5° |
| O | C8 | C9 | 121.9° | 120.0° |
| O | C8 | C7 | 121.4° | 119.9° |
| C7 | N2 | C6 | 126.6° | 126.3° |
| N2 | C7 | C8 | 112.3° | 109.5° |
| N2 | C7 | H14 | 108.8° | 109.4° |
| N2 | C7 | H15 | 108.8° | 109.5° |
| N2 | C6 | N1 | 113.9° | 110.1° |
| N2 | C6 | H2 | 123.0° | 125.0° |
| C9 | C8 | C7 | 116.7° | 120.0° |
| C8 | C9 | C10 | 114.1° | 109.5° |
| C8 | C9 | H16 | 108.3° | 109.4° |
| C8 | C9 | H17 | 108.3° | 109.4° |
| C8 | C7 | H14 | 108.8° | 109.5° |
| C8 | C7 | H15 | 108.8° | 109.5° |
| C9 | C10 | C14 | 113.5° | 109.5° |
| C9 | C10 | H13 | 107.7° | 109.4° |
| C10 | C9 | H16 | 108.3° | 109.5° |
| C10 | C9 | H17 | 108.3° | 109.5° |
| N1 | C6 | H2 | 123.1° | 124.9° |
| C10 | C14 | C13 | 104.7° | 109.3° |
| C10 | C14 | O1 | 110.5° | 109.5° |
| C10 | C14 | H9 | 110.1° | 109.5° |
| C14 | C10 | H13 | 108.1° | 109.4° |
| C12 | C13 | C14 | 110.9° | 109.2° |
| C13 | C12 | H5 | 109.7° | 109.5° |
| C13 | C12 | H6 | 109.7° | 109.5° |
| C12 | C13 | H7 | 109.1° | 109.5° |
| C12 | C13 | H8 | 109.1° | 109.5° |
| C13 | C14 | O1 | 110.1° | 109.5° |
| C14 | C13 | H7 | 109.1° | 109.5° |
| C14 | C13 | H8 | 109.1° | 109.6° |
| C13 | C14 | H9 | 110.0° | 109.5° |
| O1 | C14 | H9 | 111.3° | 109.5° |
| C14 | O1 | H20 | 109.5° | 114.0° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C2 | C3 | C1 | 179.0° | 180.0° |
| BR | C2 | C3 | N | 178.9° | 179.9° |
| BR | C2 | C1 | C | 0.9° | 0.0° |
| BR | C2 | C1 | C5 | 178.8° | 179.8° |
| BR | C2 | C3 | H1 | 1.1° | 0.0° |
| C2 | C3 | N | H1 | 180.0° | 180.0° |
| C2 | C3 | N | C4 | 0.3° | 0.3° |
| C3 | C2 | C1 | C | 178.1° | 180.0° |
| C3 | C2 | C1 | C5 | 0.2° | 0.2° |
| N | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | N | C4 | C5 | 0.6° | 0.4° |
| C3 | N | C4 | N2 | 178.7° | 179.7° |
| C2 | C1 | C | C5 | 177.8° | 179.7° |
| C2 | C1 | C5 | C4 | 0.0° | 0.2° |
| C2 | C1 | C5 | N1 | 178.9° | 179.8° |
| C1 | C2 | C3 | H1 | 179.9° | 180.0° |
| C2 | C1 | C | H10 | 88.9° | 89.7° |
| C2 | C1 | C | H11 | 151.1° | 30.3° |
| C2 | C1 | C | H12 | 31.1° | 150.3° |
| N | C4 | C5 | C1 | 0.5° | 0.1° |
| N | C4 | C5 | N2 | 179.4° | 179.9° |
| N | C4 | C5 | N1 | 179.6° | 180.0° |
| N | C4 | N2 | C7 | 1.6° | 0.1° |
| N | C4 | N2 | C6 | 179.5° | 180.0° |
| C4 | N | C3 | H1 | 179.7° | 179.7° |
| C | C1 | C5 | C4 | 177.9° | 180.0° |
| C | C1 | C5 | N1 | 1.0° | 0.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 119.9° | 120.0° |
| C1 | C5 | C4 | N1 | 179.1° | 180.0° |
| C1 | C5 | C4 | N2 | 179.0° | 180.0° |
| C1 | C5 | N1 | C6 | 178.8° | 180.0° |
| C5 | C1 | C | H10 | 88.9° | 90.0° |
| C5 | C1 | C | H11 | 31.1° | 150.0° |
| C5 | C1 | C | H12 | 151.1° | 30.0° |
| C5 | C4 | N2 | C7 | 179.0° | 180.0° |
| C5 | C4 | N2 | C6 | 0.1° | 0.0° |
| C4 | C5 | N1 | C6 | 0.2° | 0.0° |
| N2 | C4 | C5 | N1 | 0.2° | 0.0° |
| C4 | N2 | C7 | C6 | 178.7° | 180.0° |
| C4 | N2 | C7 | C8 | 83.9° | 85.0° |
| C4 | N2 | C6 | N1 | 0.0° | 0.0° |
| C4 | N2 | C6 | H2 | 180.0° | 180.0° |
| C4 | N2 | C7 | H14 | 155.7° | 35.0° |
| C4 | N2 | C7 | H15 | 36.5° | 155.1° |
| C5 | N1 | C6 | N2 | 0.1° | 0.0° |
| C5 | N1 | C6 | H2 | 179.9° | 180.0° |
| C11 | N3 | C10 | H18 | 120.1° | 124.1° |
| N3 | C11 | C12 | H3 | 120.2° | 120.0° |
| N3 | C11 | C12 | H4 | 120.2° | 120.0° |
| C11 | N3 | C10 | C9 | 166.3° | 178.2° |
| C11 | N3 | C10 | C14 | 68.8° | 61.7° |
| N3 | C11 | C12 | C13 | 52.1° | 59.2° |
| N3 | C11 | H3 | H4 | 119.4° | 120.0° |
| N3 | C11 | C12 | H5 | 171.9° | 179.1° |
| N3 | C11 | C12 | H6 | 67.8° | 60.8° |
| C11 | N3 | C10 | H13 | 47.2° | 58.3° |
| C10 | N3 | C11 | C12 | 60.3° | 61.7° |
| N3 | C10 | C9 | C8 | 62.3° | 64.9° |
| N3 | C10 | C9 | C14 | 120.7° | 120.1° |
| N3 | C10 | C9 | H13 | 119.7° | 120.0° |
| N3 | C10 | C14 | H13 | 116.3° | 120.1° |
| N3 | C10 | C14 | C13 | 68.6° | 59.2° |
| N3 | C10 | C14 | O1 | 172.9° | 179.1° |
| C10 | N3 | C11 | H3 | 59.9° | 178.3° |
| C10 | N3 | C11 | H4 | 179.5° | 58.2° |
| N3 | C10 | C14 | H9 | 49.6° | 60.8° |
| N3 | C10 | C9 | H16 | 177.0° | 175.1° |
| N3 | C10 | C9 | H17 | 58.4° | 55.0° |
| C11 | C12 | C13 | H5 | 119.9° | 119.9° |
| C11 | C12 | C13 | H6 | 119.9° | 120.0° |
| C11 | C12 | C13 | C14 | 55.5° | 57.7° |
| C12 | C11 | H3 | H4 | 119.4° | 120.0° |
| C11 | C12 | H5 | H6 | 120.4° | 120.1° |
| C11 | C12 | C13 | H7 | 64.7° | 62.2° |
| C11 | C12 | C13 | H8 | 175.8° | 177.7° |
| C12 | C11 | N3 | H18 | 59.8° | 62.4° |
| O | C8 | C7 | N2 | 4.9° | 0.0° |
| O | C8 | C9 | C7 | 180.0° | 180.0° |
| O | C8 | C9 | C10 | 17.4° | 0.1° |
| O | C8 | C7 | H14 | 115.5° | 120.0° |
| O | C8 | C7 | H15 | 125.3° | 120.0° |
| O | C8 | C9 | H16 | 138.1° | 120.0° |
| O | C8 | C9 | H17 | 103.3° | 120.0° |
| N2 | C7 | C8 | C9 | 175.0° | 180.0° |
| N2 | C7 | C8 | H14 | 120.4° | 120.0° |
| N2 | C7 | C8 | H15 | 120.4° | 120.0° |
| C7 | N2 | C6 | N1 | 178.9° | 180.0° |
| C7 | N2 | C6 | H2 | 1.1° | 0.0° |
| N2 | C7 | H14 | H15 | 118.7° | 120.0° |
| C6 | N2 | C7 | C8 | 94.7° | 95.0° |
| N2 | C6 | N1 | H2 | 180.0° | 180.0° |
| C6 | N2 | C7 | H14 | 25.7° | 145.0° |
| C6 | N2 | C7 | H15 | 144.8° | 25.0° |
| C8 | C9 | C10 | H16 | 120.7° | 120.0° |
| C8 | C9 | C10 | H17 | 120.7° | 120.0° |
| C8 | C9 | C10 | C14 | 58.4° | 175.0° |
| C8 | C9 | C10 | H13 | 178.0° | 55.1° |
| C9 | C8 | C7 | H14 | 64.5° | 60.0° |
| C9 | C8 | C7 | H15 | 54.6° | 60.0° |
| C8 | C9 | H16 | H17 | 117.8° | 119.9° |
| C7 | C8 | C9 | C10 | 162.6° | 180.0° |
| C8 | C7 | H14 | H15 | 118.7° | 120.0° |
| C7 | C8 | C9 | H16 | 41.9° | 60.0° |
| C7 | C8 | C9 | H17 | 76.7° | 60.0° |
| C9 | C10 | C14 | H13 | 119.4° | 119.9° |
| C9 | C10 | C14 | C13 | 167.1° | 179.2° |
| C9 | C10 | C14 | O1 | 48.6° | 60.9° |
| C9 | C10 | C14 | H9 | 74.7° | 59.3° |
| C10 | C9 | H16 | H17 | 117.9° | 120.0° |
| C9 | C10 | N3 | H18 | 73.6° | 57.7° |
| C10 | C14 | C13 | C12 | 63.9° | 57.6° |
| C10 | C14 | C13 | O1 | 118.7° | 119.9° |
| C10 | C14 | C13 | H9 | 118.3° | 119.9° |
| C10 | C14 | O1 | H9 | 122.6° | 120.1° |
| C10 | C14 | C13 | H7 | 56.3° | 62.3° |
| C10 | C14 | C13 | H8 | 175.9° | 177.6° |
| C14 | C10 | C9 | H16 | 62.2° | 55.0° |
| C14 | C10 | C9 | H17 | 179.1° | 65.0° |
| C14 | C10 | N3 | H18 | 51.3° | 62.3° |
| C10 | C14 | O1 | H20 | 180.0° | 179.8° |
| C12 | C13 | C14 | H7 | 120.2° | 119.9° |
| C12 | C13 | C14 | H8 | 120.2° | 120.0° |
| C12 | C13 | C14 | O1 | 177.4° | 177.5° |
| C13 | C12 | C11 | H3 | 68.1° | 179.2° |
| C13 | C12 | C11 | H4 | 172.3° | 60.8° |
| C13 | C12 | H5 | H6 | 120.3° | 120.1° |
| C12 | C13 | H7 | H8 | 119.3° | 120.1° |
| C12 | C13 | C14 | H9 | 54.4° | 62.3° |
| C13 | C14 | O1 | H9 | 122.2° | 120.1° |
| C14 | C13 | C12 | H5 | 175.4° | 177.6° |
| C14 | C13 | C12 | H6 | 64.4° | 62.3° |
| C14 | C13 | H7 | H8 | 119.4° | 120.2° |
| C13 | C14 | C10 | H13 | 47.7° | 60.9° |
| C13 | C14 | O1 | H20 | 64.9° | 60.0° |
| O1 | C14 | C13 | H7 | 62.4° | 57.7° |
| O1 | C14 | C13 | H8 | 57.1° | 62.5° |
| O1 | C14 | C10 | H13 | 70.7° | 59.1° |
| H3 | C11 | C12 | H5 | 51.7° | 60.9° |
| H3 | C11 | C12 | H6 | 172.0° | 59.2° |
| H3 | C11 | N3 | H18 | 180.0° | 57.6° |
| H4 | C11 | C12 | H5 | 67.9° | 59.1° |
| H4 | C11 | C12 | H6 | 52.4° | 179.2° |
| H4 | C11 | N3 | H18 | 60.4° | 177.7° |
| H5 | C12 | C13 | H7 | 55.2° | 57.7° |
| H5 | C12 | C13 | H8 | 64.4° | 62.4° |
| H6 | C12 | C13 | H7 | 175.4° | 177.8° |
| H6 | C12 | C13 | H8 | 55.9° | 57.7° |
| H7 | C13 | C14 | H9 | 174.6° | 177.8° |
| H8 | C13 | C14 | H9 | 65.9° | 57.6° |
| H9 | C14 | C10 | H13 | 165.9° | 179.2° |
| H9 | C14 | O1 | H20 | 57.4° | 60.1° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H13 | C10 | C9 | H16 | 57.3° | 64.9° |
| H13 | C10 | C9 | H17 | 61.3° | 175.1° |
| H13 | C10 | N3 | H18 | 167.3° | 177.7° |
