Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C15H15N5O2S·C2H2Cl4 |
| M r | 497.21 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 295 |
| a, b, c (Å) | 5.9124 (2), 17.6155 (5), 20.3351 (6) |
| β (°) | 96.563 (3) |
| V (Å3) | 2104.02 (11) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.69 |
| Crystal size (mm) | 0.42 × 0.09 × 0.08 |
| Data collection | |
| Diffractometer | Oxford Diffraction Xcalibur 3/Sapphire3 CCD |
| Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
| T min, T max | 0.728, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 28750, 3675, 3213 |
| R int | 0.053 |
| (sin θ/λ)max (Å−1) | 0.595 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.076, 0.204, 1.09 |
| No. of reflections | 3675 |
| No. of parameters | 279 |
| No. of restraints | 4 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.72, −0.79 |