Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C17H15N3OS2 |
| M r | 341.44 |
| Crystal system, space group | Triclinic, P
|
| Temperature (K) | 173 |
| a, b, c (Å) | 6.5733 (2), 8.0601 (2), 15.8280 (4) |
| α, β, γ (°) | 95.442 (2), 99.527 (2), 90.360 (2) |
| V (Å3) | 823.09 (4) |
| Z | 2 |
| Radiation type | Cu Kα |
| μ (mm−1) | 2.99 |
| Crystal size (mm) | 0.12 × 0.09 × 0.02 |
| Data collection | |
| Diffractometer | Rigaku XtaLAB P100K |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2023 ▸) |
| T min, T max | 0.748, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 14207, 2876, 2623 |
| R int | 0.034 |
| (sin θ/λ)max (Å−1) | 0.595 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.034, 0.097, 1.07 |
| No. of reflections | 2876 |
| No. of parameters | 217 |
| No. of restraints | 2 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.38, −0.18 |