Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C9H7NO2S |
| M r | 193.22 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 301 |
| a, b, c (Å) | 10.4660 (4), 12.1614 (5), 14.7636 (6) |
| β (°) | 110.362 (1) |
| V (Å3) | 1761.71 (12) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.33 |
| Crystal size (mm) | 0.31 × 0.20 × 0.10 |
| Data collection | |
| Diffractometer | Agilent Technologies Xcalibur, Eos |
| Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2013 ▸)) |
| T min, T max | 0.758, 0.968 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 72470, 6743, 4110 |
| R int | 0.084 |
| (sin θ/λ)max (Å−1) | 0.770 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.079, 0.239, 1.07 |
| No. of reflections | 6743 |
| No. of parameters | 235 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.60, −0.54 |