Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C15H15N3O3·0.5H2O |
| M r | 294.31 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 294 |
| a, b, c (Å) | 21.3157 (18), 11.9883 (8), 22.8642 (15) |
| β (°) | 103.729 (2) |
| V (Å3) | 5675.8 (7) |
| Z | 16 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.10 |
| Crystal size (mm) | 0.28 × 0.26 × 0.13 |
| Data collection | |
| Diffractometer | Bruker APEXII DUO CCD area-detector |
| Absorption correction | Multi-scan (SADABS, 2012 ▸) |
| T min, T max | 0.962, 0.996 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 65196, 5430, 3849 |
| R int | 0.052 |
| (sin θ/λ)max (Å−1) | 0.613 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.047, 0.136, 1.04 |
| No. of reflections | 5430 |
| No. of parameters | 414 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.48, −0.29 |