Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Cu(C16H12N3O2)Cl]·H2O |
| M r | 395.29 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 3.7711 (4), 26.451 (3), 15.0864 (15) |
| β (°) | 97.100 (2) |
| V (Å3) | 1493.3 (3) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 1.66 |
| Crystal size (mm) | 0.44 × 0.09 × 0.02 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.629, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 8133, 2746, 2132 |
| R int | 0.049 |
| (sin θ/λ)max (Å−1) | 0.602 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.036, 0.081, 1.04 |
| No. of reflections | 2746 |
| No. of parameters | 230 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.42, −0.41 |