W2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C10 | sing | 1.39Å | 1.38Å | |
| CL1 | C8 | sing | 1.74Å | 1.74Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| O3 | C2 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.50Å | |
| C2 | N1 | sing | 1.34Å | 1.38Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| N2 | C6 | sing | 1.35Å | 1.34Å | |
| N2 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | C3 | sing | 1.34Å | 1.38Å | |
| C6 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O2 | doub | 1.21Å | 1.21Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C10 | C9 | 120.3° | 120.0° |
| N3 | C10 | C11 | 120.6° | 119.9° |
| C10 | N3 | H12 | 109.5° | 120.0° |
| C10 | N3 | H11 | 109.5° | 120.0° |
| CL1 | C8 | C9 | 116.9° | 120.1° |
| CL1 | C8 | C7 | 121.3° | 120.2° |
| C10 | C9 | C8 | 119.6° | 120.0° |
| C9 | C10 | C11 | 119.1° | 120.1° |
| C10 | C9 | H8 | 120.2° | 120.0° |
| C9 | C8 | C7 | 121.8° | 119.7° |
| C8 | C9 | H8 | 120.2° | 120.0° |
| C10 | C11 | C12 | 120.6° | 120.2° |
| C10 | C11 | H9 | 119.7° | 119.9° |
| C8 | C7 | C12 | 117.9° | 119.9° |
| C8 | C7 | C6 | 123.0° | 120.0° |
| O3 | C2 | N1 | 120.9° | 119.3° |
| O3 | C2 | C1 | 122.3° | 119.4° |
| C11 | C12 | C7 | 120.9° | 120.1° |
| C12 | C11 | H9 | 119.7° | 119.9° |
| C11 | C12 | H10 | 119.5° | 120.0° |
| C12 | C7 | C6 | 119.1° | 120.1° |
| C7 | C12 | H10 | 119.5° | 120.0° |
| C7 | C6 | N2 | 117.6° | 120.0° |
| C7 | C6 | O1 | 120.4° | 120.0° |
| N1 | C2 | C1 | 116.8° | 121.3° |
| C2 | N1 | C3 | 126.8° | 122.6° |
| C2 | N1 | H2 | 116.6° | 118.7° |
| C2 | C1 | N2 | 110.6° | 109.6° |
| C2 | C1 | C5 | 111.6° | 109.2° |
| C2 | C1 | H1 | 107.6° | 109.4° |
| C6 | N2 | C1 | 123.2° | 120.0° |
| N2 | C6 | O1 | 122.0° | 120.0° |
| C6 | N2 | H7 | 118.4° | 120.0° |
| N2 | C1 | C5 | 110.8° | 109.5° |
| C1 | N2 | H7 | 118.4° | 120.0° |
| N2 | C1 | H1 | 108.5° | 109.5° |
| N1 | C3 | O2 | 120.3° | 119.4° |
| N1 | C3 | C4 | 117.0° | 121.2° |
| C3 | N1 | H2 | 116.6° | 118.7° |
| C1 | C5 | C4 | 109.6° | 108.6° |
| C1 | C5 | H5 | 109.4° | 109.6° |
| C1 | C5 | H6 | 109.5° | 109.7° |
| C5 | C1 | H1 | 107.6° | 109.5° |
| C5 | C4 | C3 | 113.4° | 109.2° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C5 | C4 | H3 | 108.4° | 109.6° |
| C4 | C5 | H5 | 109.4° | 109.7° |
| C4 | C5 | H6 | 109.4° | 109.7° |
| O2 | C3 | C4 | 122.7° | 119.4° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| C3 | C4 | H3 | 108.5° | 109.6° |
| H4 | C4 | H3 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.6° |
| H12 | N3 | H11 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C10 | C9 | C11 | 180.0° | 179.7° |
| N3 | C10 | C9 | C8 | 179.9° | 180.0° |
| N3 | C10 | C11 | C12 | 180.0° | 179.7° |
| N3 | C10 | C9 | H8 | 0.1° | 0.2° |
| N3 | C10 | C11 | H9 | 0.0° | 0.3° |
| C10 | N3 | H12 | H11 | 120.0° | 180.0° |
| CL1 | C8 | C9 | C10 | 179.9° | 180.0° |
| CL1 | C8 | C9 | C7 | 179.6° | 180.0° |
| CL1 | C8 | C7 | C12 | 180.0° | 180.0° |
| CL1 | C8 | C7 | C6 | 0.8° | 0.4° |
| CL1 | C8 | C9 | H8 | 0.1° | 0.2° |
| C10 | C9 | C8 | H8 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.6° |
| C9 | C10 | C11 | H9 | 180.0° | 180.0° |
| C9 | C10 | N3 | H12 | 180.0° | 0.0° |
| C9 | C10 | N3 | H11 | 60.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C9 | C8 | C7 | C12 | 0.4° | 0.0° |
| C9 | C8 | C7 | C6 | 179.6° | 179.7° |
| C10 | C11 | C12 | H9 | 180.0° | 179.4° |
| C10 | C11 | C12 | C7 | 0.1° | 0.6° |
| C11 | C10 | C9 | H8 | 179.9° | 179.9° |
| C10 | C11 | C12 | H10 | 179.9° | 179.4° |
| C11 | C10 | N3 | H12 | 0.0° | 179.7° |
| C11 | C10 | N3 | H11 | 120.0° | 0.3° |
| C8 | C7 | C12 | C11 | 0.3° | 0.3° |
| C8 | C7 | C12 | C6 | 179.3° | 179.7° |
| C8 | C7 | C6 | N2 | 9.7° | 179.7° |
| C8 | C7 | C6 | O1 | 171.4° | 0.3° |
| C7 | C8 | C9 | H8 | 179.7° | 179.8° |
| C8 | C7 | C12 | H10 | 179.7° | 179.7° |
| O3 | C2 | N1 | C1 | 179.3° | 179.5° |
| O3 | C2 | C1 | N2 | 28.4° | 30.8° |
| O3 | C2 | N1 | C3 | 178.9° | 179.5° |
| O3 | C2 | C1 | C5 | 152.2° | 150.8° |
| O3 | C2 | N1 | H2 | 1.1° | 0.9° |
| O3 | C2 | C1 | H1 | 90.0° | 89.3° |
| C11 | C12 | C7 | H10 | 180.0° | 180.0° |
| C11 | C12 | C7 | C6 | 179.6° | 180.0° |
| C12 | C7 | C6 | N2 | 169.5° | 0.1° |
| C12 | C7 | C6 | O1 | 9.4° | 180.0° |
| C7 | C12 | C11 | H9 | 179.9° | 180.0° |
| C7 | C6 | N2 | O1 | 178.9° | 179.9° |
| C7 | C6 | N2 | C1 | 173.4° | 179.9° |
| C7 | C6 | N2 | H7 | 6.6° | 0.0° |
| C6 | C7 | C12 | H10 | 0.5° | 0.0° |
| N1 | C2 | C1 | N2 | 152.4° | 148.6° |
| C2 | N1 | C3 | H2 | 180.0° | 179.7° |
| N1 | C2 | C1 | C5 | 28.6° | 28.6° |
| C2 | N1 | C3 | O2 | 177.4° | 179.8° |
| C2 | N1 | C3 | C4 | 2.3° | 0.2° |
| N1 | C2 | C1 | H1 | 89.3° | 91.3° |
| C2 | C1 | N2 | C6 | 122.0° | 85.2° |
| C2 | C1 | N2 | C5 | 124.3° | 119.8° |
| C2 | C1 | N2 | H1 | 117.8° | 120.0° |
| C1 | C2 | N1 | C3 | 0.4° | 0.0° |
| C2 | C1 | C5 | H1 | 117.8° | 119.8° |
| C2 | C1 | C5 | C4 | 53.7° | 55.4° |
| C1 | C2 | N1 | H2 | 179.6° | 179.7° |
| C2 | C1 | N2 | H7 | 58.0° | 94.9° |
| C2 | C1 | C5 | H5 | 173.7° | 64.3° |
| C2 | C1 | C5 | H6 | 66.4° | 175.3° |
| C6 | N2 | C1 | H7 | 180.0° | 179.9° |
| C6 | N2 | C1 | C5 | 113.7° | 155.0° |
| C6 | N2 | C1 | H1 | 4.2° | 34.9° |
| C1 | N2 | C6 | O1 | 5.5° | 0.0° |
| N2 | C1 | C5 | H1 | 118.5° | 120.1° |
| N2 | C1 | C5 | C4 | 177.4° | 175.5° |
| N2 | C1 | C5 | H5 | 62.6° | 55.7° |
| N2 | C1 | C5 | H6 | 57.4° | 64.7° |
| N1 | C3 | C4 | C5 | 25.1° | 29.1° |
| N1 | C3 | O2 | C4 | 179.7° | 180.0° |
| N1 | C3 | C4 | H4 | 95.5° | 149.0° |
| N1 | C3 | C4 | H3 | 145.7° | 90.9° |
| O1 | C6 | N2 | H7 | 174.6° | 180.0° |
| C1 | C5 | C4 | H5 | 120.0° | 119.7° |
| C1 | C5 | C4 | H6 | 120.0° | 119.9° |
| C1 | C5 | C4 | C3 | 52.6° | 55.7° |
| C5 | C1 | N2 | H7 | 66.3° | 24.9° |
| C1 | C5 | C4 | H4 | 68.0° | 175.5° |
| C1 | C5 | C4 | H3 | 173.1° | 64.4° |
| C1 | C5 | H5 | H6 | 119.9° | 120.5° |
| C5 | C4 | C3 | O2 | 155.2° | 150.9° |
| C5 | C4 | C3 | H4 | 120.6° | 119.9° |
| C5 | C4 | C3 | H3 | 120.6° | 120.1° |
| C5 | C4 | H4 | H3 | 118.2° | 120.2° |
| C4 | C5 | H5 | H6 | 119.9° | 120.4° |
| C4 | C5 | C1 | H1 | 64.1° | 64.4° |
| O2 | C3 | N1 | H2 | 2.6° | 0.6° |
| O2 | C3 | C4 | H4 | 84.2° | 31.0° |
| O2 | C3 | C4 | H3 | 34.7° | 89.1° |
| C4 | C3 | N1 | H2 | 177.7° | 179.4° |
| C3 | C4 | H4 | H3 | 118.2° | 120.1° |
| C3 | C4 | C5 | H5 | 172.6° | 64.0° |
| C3 | C4 | C5 | H6 | 67.5° | 175.6° |
| H7 | N2 | C1 | H1 | 175.8° | 145.1° |
| H4 | C4 | C5 | H5 | 52.0° | 55.8° |
| H4 | C4 | C5 | H6 | 171.9° | 64.6° |
| H3 | C4 | C5 | H5 | 66.9° | 175.9° |
| H3 | C4 | C5 | H6 | 53.1° | 55.5° |
| H5 | C5 | C1 | H1 | 55.9° | 175.9° |
| H6 | C5 | C1 | H1 | 175.8° | 55.5° |
| H9 | C11 | C12 | H10 | 0.1° | 0.0° |
