Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C16H9NO2S |
| M r | 279.30 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 4.60717 (11), 20.7275 (5), 12.6444 (3) |
| β (°) | 91.911 (2) |
| V (Å3) | 1206.81 (5) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 2.39 |
| Crystal size (mm) | 0.04 × 0.01 × 0.01 |
| Data collection | |
| Diffractometer | XtaLAB Synergy |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
| T min, T max | 0.696, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 49602, 2547, 2528 |
| R int | 0.068 |
| (sin θ/λ)max (Å−1) | 0.634 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.049, 0.120, 1.25 |
| No. of reflections | 2547 |
| No. of parameters | 181 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.45, −0.43 |