Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C16H13N3OS |
| M r | 295.35 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 566 |
| a, b, c (Å) | 11.7685 (3), 16.3641 (3), 16.3798 (3) |
| β (°) | 110.646 (2) |
| V (Å3) | 2951.85 (11) |
| Z | 8 |
| Radiation type | Cu Kα |
| μ (mm−1) | 1.96 |
| Crystal size (mm) | 0.25 × 0.23 × 0.20 |
| Data collection | |
| Diffractometer | XtaLAB Synergy, Single source at home/near, HyPix3000 |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸) |
| T min, T max | 0.639, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 16801, 5685, 4788 |
| R int | 0.022 |
| (sin θ/λ)max (Å−1) | 0.615 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.042, 0.121, 1.06 |
| No. of reflections | 5685 |
| No. of parameters | 390 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.32, −0.43 |