Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C13H12ClN5 |
| M r | 273.73 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 7.0640 (1), 25.2362 (4), 7.6494 (1) |
| β (°) | 113.243 (1) |
| V (Å3) | 1252.97 (3) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.30 |
| Crystal size (mm) | 0.40 × 0.30 × 0.05 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2001 ▸) |
| T min, T max | 0.874, 0.985 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 11572, 3837, 3347 |
| R int | 0.018 |
| (sin θ/λ)max (Å−1) | 0.716 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.039, 0.100, 1.04 |
| No. of reflections | 3837 |
| No. of parameters | 178 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.47, −0.33 |