Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C6H7N3O2 |
| M r | 153.15 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 170 |
| a, b, c (Å) | 7.4130 (8), 9.2858 (7), 10.1238 (10) |
| β (°) | 102.841 (10) |
| V (Å3) | 679.45 (11) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.12 |
| Crystal size (mm) | 0.35 × 0.2 × 0.2 |
| Data collection | |
| Diffractometer | Rigaku XtaLAB mini |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
| T min, T max | 0.940, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 5858, 1238, 961 |
| R int | 0.034 |
| (sin θ/λ)max (Å−1) | 0.602 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.039, 0.101, 1.04 |
| No. of reflections | 1238 |
| No. of parameters | 113 |
| No. of restraints | 3 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.17, −0.15 |