Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C12H7Cl3O3S |
| M r | 337.59 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 173 |
| a, b, c (Å) | 12.3401 (11), 6.5421 (6), 16.1350 (14) |
| β (°) | 92.1159 (10) |
| V (Å3) | 1301.7 (2) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.86 |
| Crystal size (mm) | 0.24 × 0.18 × 0.10 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2013 ▸) |
| T min, T max | 0.689, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 10912, 2568, 2172 |
| R int | 0.029 |
| (sin θ/λ)max (Å−1) | 0.618 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.031, 0.083, 1.06 |
| No. of reflections | 2568 |
| No. of parameters | 172 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.26, −0.28 |