Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C9H7Cl2N5·C2H6O |
| M r | 302.16 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 21.2458 (15), 10.2320 (8), 14.8428 (11) |
| β (°) | 118.808 (4) |
| V (Å3) | 2827.3 (4) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.46 |
| Crystal size (mm) | 0.39 × 0.25 × 0.13 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2015 ▸) |
| T min, T max | 0.602, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 21376, 2925, 2634 |
| R int | 0.053 |
| (sin θ/λ)max (Å−1) | 0.629 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.098, 0.234, 1.41 |
| No. of reflections | 2925 |
| No. of parameters | 193 |
| No. of restraints | 48 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.62, −0.87 |