Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C12H11N3OS |
| M r | 245.30 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 8.78308 (12), 11.66215 (16), 11.00169 (15) |
| β (°) | 97.9460 (12) |
| V (Å3) | 1116.08 (3) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 2.47 |
| Crystal size (mm) | 0.15 × 0.10 × 0.03 |
| Data collection | |
| Diffractometer | XtaLAB Synergy |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
| T min, T max | 0.731, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 46018, 2367, 2280 |
| R int | 0.037 |
| (sin θ/λ)max (Å−1) | 0.634 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.030, 0.081, 1.07 |
| No. of reflections | 2367 |
| No. of parameters | 156 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.28, −0.36 |