Table 1. Experimental details.
| Crystal data | |
| Chemical formula | C9H13N3O4 |
| M r | 227.22 |
| Crystal system, space group | Orthorhombic, P212121 |
| Temperature (K) | 100 |
| a, b, c (Å) | 6.8378 (4), 11.4334 (7), 12.7595 (8) |
| V (Å3) | 997.53 (11) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 1.02 |
| Crystal size (mm) | 0.22 × 0.18 × 0.16 |
| Data collection | |
| Diffractometer | Bruker APEXII Kappa CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2014 ▸) |
| T min, T max | 0.75, 0.85 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 11824, 1768, 1719 |
| R int | 0.037 |
| (sin θ/λ)max (Å−1) | 0.596 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.025, 0.061, 1.12 |
| No. of reflections | 1768 |
| No. of parameters | 161 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.12, −0.18 |
| Absolute structure | Flack x determined using 684 quotients [(I +) − (I −)]/[(I +) + (I −)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter | 0.04 (9) |