Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C15H15NO4·C3H7NO·H2O |
| M r | 364.39 |
| Crystal system, space group | Orthorhombic, P b c a |
| Temperature (K) | 100 |
| a, b, c (Å) | 11.5504 (7), 13.8047 (7), 22.3899 (12) |
| V (Å3) | 3570.1 (3) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.10 |
| Crystal size (mm) | 0.39 × 0.24 × 0.17 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | – |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 40928, 3165, 2321 |
| R int | 0.106 |
| (sin θ/λ)max (Å−1) | 0.596 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.044, 0.113, 1.05 |
| No. of reflections | 3165 |
| No. of parameters | 258 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.25, −0.25 |