Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C8H4F5NO |
| M r | 225.12 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 14.4934 (5), 5.8247 (2), 9.7836 (3) |
| β (°) | 90.870 (2) |
| V (Å3) | 825.83 (5) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.20 |
| Crystal size (mm) | 0.2 × 0.15 × 0.06 |
| Data collection | |
| Diffractometer | Bruker KAPPA APEXII area-detector diffractometer |
| Absorption correction | Multi-scan (SADABS; Bruker, 2008 ▸) |
| T min, T max | 0.888, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 10007, 2394, 1868 |
| R int | 0.032 |
| (sin θ/λ)max (Å−1) | 0.703 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.036, 0.101, 1.02 |
| No. of reflections | 2394 |
| No. of parameters | 148 |
| H-atom treatment | Only H-atom coordinates refined |
| Δρmax, Δρmin (e Å−3) | 0.41, −0.22 |