Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C13H11ClO3 |
| M r | 250.67 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 150 |
| a, b, c (Å) | 8.79348 (19), 27.8665 (5), 10.2288 (3) |
| β (°) | 112.393 (3) |
| V (Å3) | 2317.49 (10) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.32 |
| Crystal size (mm) | 0.44 × 0.26 × 0.14 |
| Data collection | |
| Diffractometer | Rigaku XtaLAB Mini II |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
| T min, T max | 0.793, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 53946, 5716, 4902 |
| R int | 0.034 |
| (sin θ/λ)max (Å−1) | 0.667 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.040, 0.103, 1.08 |
| No. of reflections | 5716 |
| No. of parameters | 443 |
| No. of restraints | 64 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.81, −0.31 |