Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C8H8N2O4 |
| M r | 196.16 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 90 |
| a, b, c (Å) | 9.6643 (3), 18.5534 (5), 9.3072 (2) |
| β (°) | 95.5075 (14) |
| V (Å3) | 1661.13 (8) |
| Z | 8 |
| Radiation type | Cu Kα |
| μ (mm−1) | 1.10 |
| Crystal size (mm) | 0.21 × 0.07 × 0.02 |
| Data collection | |
| Diffractometer | Bruker Kappa APEXII DUO CCD |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.872, 0.978 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 6856, 1543, 1486 |
| R int | 0.028 |
| (sin θ/λ)max (Å−1) | 0.607 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.035, 0.095, 1.13 |
| No. of reflections | 1543 |
| No. of parameters | 134 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.29, −0.24 |