Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C5H5Cl2N2 +·C6H4NO3 −·H2O |
| M r | 320.13 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 296 |
| a, b, c (Å) | 8.4267 (19), 14.084 (3), 10.900 (2) |
| β (°) | 91.953 (8) |
| V (Å3) | 1292.9 (5) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.52 |
| Crystal size (mm) | 0.46 × 0.32 × 0.13 |
| Data collection | |
| Diffractometer | Agilent Xcalibur, Atlas, Gemini |
| Absorption correction | Multi-scan |
| T min, T max | 0.819, 0.937 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 45801, 3296, 2853 |
| R int | 0.038 |
| (sin θ/λ)max (Å−1) | 0.675 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.033, 0.091, 1.03 |
| No. of reflections | 3296 |
| No. of parameters | 185 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.24, −0.35 |