Table 4. Experimental details.
| Crystal data | |
| Chemical formula | C6H6N2O·C5H4ClNO |
| M r | 251.67 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 173 |
| a, b, c (Å) | 8.0095 (3), 6.6434 (2), 20.6585 (6) |
| β (°) | 92.563 (1) |
| V (Å3) | 1098.15 (6) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.34 |
| Crystal size (mm) | 0.20 × 0.15 × 0.09 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 19834, 2745, 2461 |
| R int | 0.041 |
| (sin θ/λ)max (Å−1) | 0.671 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.032, 0.091, 1.06 |
| No. of reflections | 2745 |
| No. of parameters | 155 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.33, −0.23 |