Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C10H6N2O4 |
| M r | 218.17 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 293 |
| a, b, c (Å) | 14.331 (5), 7.769 (5), 17.558 (5) |
| β (°) | 91.969 (5) |
| V (Å3) | 1953.7 (15) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.12 |
| Crystal size (mm) | 0.60 × 0.51 × 0.36 |
| Data collection | |
| Diffractometer | Xcalibur, Atlas, Gemini |
| Absorption correction | Analytical (CrysAlis PRO; Agilent, 2012 ▸) |
| T min, T max | 0.983, 0.988 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 8808, 5183, 2815 |
| R int | 0.020 |
| (sin θ/λ)max (Å−1) | 0.681 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.048, 0.122, 1.02 |
| No. of reflections | 4548 |
| No. of parameters | 299 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.21, −0.19 |