Table 4. Experimental details.
| Crystal data | |
| Chemical formula | C21H17N3O5 |
| M r | 391.37 |
| Crystal system, space group | Monoclinic, P21 |
| Temperature (K) | 123 |
| a, b, c (Å) | 7.2948 (3), 7.1242 (3), 16.8297 (7) |
| β (°) | 97.644 (3) |
| V (Å3) | 866.86 (6) |
| Z | 2 |
| Radiation type | Cu Kα |
| μ (mm−1) | 0.91 |
| Crystal size (mm) | 0.50 × 0.40 × 0.18 |
| Data collection | |
| Diffractometer | Oxford Diffraction Gemini S |
| Absorption correction | Multi-scan |
| T min, T max | 0.603, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 3172, 3172, 2982 |
| R int | 0.048 |
| (sin θ/λ)max (Å−1) | 0.620 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.047, 0.126, 1.06 |
| No. of reflections | 3172 |
| No. of parameters | 263 |
| No. of restraints | 3 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.23, −0.30 |
| Absolute structure | Flack x determined using 524 quotients [(I +)−(I −)]/[(I +)+(I −)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter | 0.2 (3) |