T2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.34Å | 1.36Å | Aromatic |
| N | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.42Å | 1.43Å | Aromatic |
| C14 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C11 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C15 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C15 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | O | sing | 1.35Å | 1.31Å | |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | CL | sing | 1.74Å | 1.74Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| O | H4 | sing | 0.97Å | 0.95Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C13 | C12 | 110.5° | 109.7° |
| C13 | N | C14 | 108.3° | 108.8° |
| N | C13 | H3 | 124.7° | 125.2° |
| C13 | N | H6 | 125.9° | 125.5° |
| C13 | C12 | C11 | 106.3° | 107.8° |
| C13 | C12 | H2 | 126.9° | 126.1° |
| C12 | C13 | H3 | 124.8° | 125.1° |
| N | C14 | C11 | 107.8° | 107.0° |
| N | C14 | C1 | 128.5° | 133.2° |
| C14 | N | H6 | 125.9° | 125.6° |
| C12 | C11 | C14 | 107.2° | 106.7° |
| C12 | C11 | C4 | 133.3° | 133.4° |
| C11 | C12 | H2 | 126.8° | 126.0° |
| C11 | C14 | C1 | 123.6° | 119.8° |
| C14 | C11 | C4 | 119.3° | 119.9° |
| C14 | C1 | C | 121.1° | 119.9° |
| C14 | C1 | C2 | 115.8° | 120.1° |
| C | C1 | C2 | 123.1° | 120.0° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C11 | C4 | C5 | 123.5° | 120.2° |
| C11 | C4 | C3 | 118.4° | 119.7° |
| C1 | C2 | C3 | 121.8° | 120.4° |
| C1 | C2 | C15 | 123.2° | 119.8° |
| C5 | C4 | C3 | 117.9° | 120.2° |
| C4 | C5 | C10 | 120.9° | 120.1° |
| C4 | C5 | C6 | 121.1° | 120.1° |
| C4 | C3 | C2 | 121.0° | 120.1° |
| C4 | C3 | H5 | 119.5° | 119.9° |
| C5 | C10 | C9 | 121.2° | 119.9° |
| C10 | C5 | C6 | 118.0° | 119.8° |
| C5 | C10 | H1 | 119.4° | 120.0° |
| C10 | C9 | C8 | 119.3° | 120.1° |
| C9 | C10 | H1 | 119.4° | 120.1° |
| C10 | C9 | H10 | 120.3° | 120.0° |
| C3 | C2 | C15 | 115.0° | 119.8° |
| C2 | C3 | H5 | 119.5° | 119.9° |
| C2 | C15 | O1 | 121.8° | 120.0° |
| C2 | C15 | O | 115.1° | 120.0° |
| C5 | C6 | C7 | 121.2° | 119.8° |
| C5 | C6 | H12 | 119.4° | 120.1° |
| C9 | C8 | C7 | 121.2° | 120.2° |
| C9 | C8 | CL | 119.3° | 119.9° |
| C8 | C9 | H10 | 120.4° | 119.9° |
| O1 | C15 | O | 123.1° | 120.0° |
| C6 | C7 | C8 | 119.1° | 120.1° |
| C6 | C7 | H11 | 120.5° | 119.9° |
| C7 | C6 | H12 | 119.4° | 120.1° |
| C15 | O | H4 | 109.5° | 117.0° |
| C7 | C8 | CL | 119.5° | 119.9° |
| C8 | C7 | H11 | 120.5° | 120.0° |
| H7 | C | H8 | 109.5° | 109.4° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C13 | C12 | H3 | 180.0° | 179.8° |
| C13 | N | C14 | H6 | 180.0° | 179.6° |
| N | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | N | C14 | C11 | 0.7° | 0.4° |
| C13 | N | C14 | C1 | 176.2° | 179.8° |
| N | C13 | C12 | H2 | 179.9° | 180.0° |
| C12 | C13 | N | C14 | 0.5° | 0.3° |
| C13 | C12 | C11 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | C14 | 0.3° | 0.3° |
| C13 | C12 | C11 | C4 | 175.3° | 180.0° |
| C12 | C13 | N | H6 | 179.5° | 179.9° |
| N | C14 | C11 | C12 | 0.6° | 0.4° |
| N | C14 | C11 | C1 | 177.1° | 179.8° |
| N | C14 | C1 | C | 5.1° | 0.2° |
| N | C14 | C11 | C4 | 176.4° | 179.8° |
| N | C14 | C1 | C2 | 175.3° | 179.7° |
| C14 | N | C13 | H3 | 179.5° | 180.0° |
| C12 | C11 | C14 | C4 | 175.8° | 179.7° |
| C12 | C11 | C14 | C1 | 176.5° | 179.8° |
| C12 | C11 | C4 | C5 | 9.9° | 0.1° |
| C12 | C11 | C4 | C3 | 173.7° | 180.0° |
| C11 | C12 | C13 | H3 | 179.9° | 179.8° |
| C11 | C14 | C1 | C | 178.4° | 180.0° |
| C11 | C14 | C1 | C2 | 1.1° | 0.0° |
| C14 | C11 | C4 | C5 | 175.7° | 179.7° |
| C14 | C11 | C4 | C3 | 0.7° | 0.3° |
| C14 | C11 | C12 | H2 | 179.7° | 179.8° |
| C11 | C14 | N | H6 | 179.4° | 179.9° |
| C14 | C1 | C | C2 | 179.5° | 179.9° |
| C1 | C14 | C11 | C4 | 0.7° | 0.0° |
| C14 | C1 | C2 | C3 | 0.1° | 0.2° |
| C14 | C1 | C2 | C15 | 178.4° | 179.7° |
| C1 | C14 | N | H6 | 3.8° | 0.1° |
| C14 | C1 | C | H7 | 90.2° | 97.0° |
| C14 | C1 | C | H8 | 149.8° | 143.1° |
| C14 | C1 | C | H9 | 29.8° | 23.1° |
| C | C1 | C2 | C3 | 179.4° | 179.7° |
| C | C1 | C2 | C15 | 1.1° | 0.2° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C11 | C4 | C5 | C3 | 176.4° | 179.9° |
| C11 | C4 | C5 | C10 | 50.9° | 130.0° |
| C11 | C4 | C3 | C2 | 1.7° | 0.6° |
| C11 | C4 | C5 | C6 | 130.3° | 50.0° |
| C4 | C11 | C12 | H2 | 4.7° | 0.1° |
| C11 | C4 | C3 | H5 | 178.3° | 179.5° |
| C1 | C2 | C3 | C4 | 1.3° | 0.5° |
| C1 | C2 | C3 | C15 | 178.4° | 179.5° |
| C1 | C2 | C15 | O1 | 51.3° | 5.7° |
| C1 | C2 | C15 | O | 130.9° | 174.3° |
| C1 | C2 | C3 | H5 | 178.7° | 179.5° |
| C2 | C1 | C | H7 | 90.3° | 82.9° |
| C2 | C1 | C | H8 | 29.7° | 37.0° |
| C2 | C1 | C | H9 | 149.7° | 157.0° |
| C4 | C5 | C10 | C6 | 178.9° | 180.0° |
| C4 | C5 | C10 | C9 | 178.9° | 180.0° |
| C5 | C4 | C3 | C2 | 174.9° | 179.5° |
| C4 | C5 | C6 | C7 | 178.3° | 180.0° |
| C4 | C5 | C10 | H1 | 1.1° | 0.2° |
| C5 | C4 | C3 | H5 | 5.1° | 0.5° |
| C4 | C5 | C6 | H12 | 1.6° | 0.0° |
| C3 | C4 | C5 | C10 | 132.7° | 50.1° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C4 | C3 | C2 | C15 | 177.1° | 180.0° |
| C3 | C4 | C5 | C6 | 46.2° | 130.0° |
| C5 | C10 | C9 | H1 | 180.0° | 179.8° |
| C5 | C10 | C9 | C8 | 0.2° | 0.1° |
| C10 | C5 | C6 | C7 | 0.6° | 0.0° |
| C5 | C10 | C9 | H10 | 179.8° | 180.0° |
| C10 | C5 | C6 | H12 | 179.5° | 180.0° |
| C9 | C10 | C5 | C6 | 0.0° | 0.0° |
| C10 | C9 | C8 | H10 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C10 | C9 | C8 | CL | 179.3° | 180.0° |
| C3 | C2 | C15 | O1 | 127.1° | 173.8° |
| C3 | C2 | C15 | O | 50.7° | 6.2° |
| C2 | C15 | O1 | O | 177.6° | 180.0° |
| C2 | C15 | O | H4 | 177.8° | 180.0° |
| C15 | C2 | C3 | H5 | 2.9° | 0.1° |
| C5 | C6 | C7 | H12 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.0° | 0.0° |
| C6 | C5 | C10 | H1 | 180.0° | 179.8° |
| C5 | C6 | C7 | H11 | 179.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.8° | 0.0° |
| C9 | C8 | C7 | CL | 179.5° | 180.0° |
| C8 | C9 | C10 | H1 | 179.8° | 179.7° |
| C9 | C8 | C7 | H11 | 179.2° | 180.0° |
| O1 | C15 | O | H4 | 0.0° | 0.0° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | CL | 178.7° | 180.0° |
| C7 | C8 | C9 | H10 | 179.8° | 180.0° |
| C8 | C7 | C6 | H12 | 179.1° | 180.0° |
| CL | C8 | C9 | H10 | 0.7° | 0.0° |
| CL | C8 | C7 | H11 | 1.3° | 0.0° |
| H1 | C10 | C9 | H10 | 0.2° | 0.2° |
| H2 | C12 | C13 | H3 | 0.1° | 0.2° |
| H3 | C13 | N | H6 | 0.5° | 0.3° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
| H11 | C7 | C6 | H12 | 0.9° | 0.0° |
