Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C12H9N3O4 |
| M r | 259.22 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 296 |
| a, b, c (Å) | 14.2940 (11), 7.0352 (6), 11.6043 (9) |
| β (°) | 99.437 (6) |
| V (Å3) | 1151.15 (16) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.12 |
| Crystal size (mm) | 0.34 × 0.20 × 0.07 |
| Data collection | |
| Diffractometer | Stoe IPDS 2 |
| Absorption correction | Integration (X-RED32; Stoe & Cie, 2002 ▸) |
| T min, T max | 0.980, 0.993 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 6476, 2566, 1052 |
| R int | 0.044 |
| (sin θ/λ)max (Å−1) | 0.646 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.040, 0.092, 0.81 |
| No. of reflections | 2566 |
| No. of parameters | 180 |
| No. of restraints | 2 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.10, −0.12 |