Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C16H12F5N3O |
| M r | 357.29 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 296 |
| a, b, c (Å) | 19.0048 (6), 11.5216 (4), 17.2227 (6) |
| β (°) | 116.526 (1) |
| V (Å3) | 3374.2 (2) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.13 |
| Crystal size (mm) | 0.86 × 0.76 × 0.32 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.666, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 20072, 3619, 3075 |
| R int | 0.025 |
| (sin θ/λ)max (Å−1) | 0.639 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.044, 0.129, 1.08 |
| No. of reflections | 3619 |
| No. of parameters | 232 |
| No. of restraints | 1 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.27, −0.16 |