Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C11H13N3O |
| M r | 203.24 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 8.5680 (4), 10.0475 (4), 11.6778 (5) |
| β (°) | 103.272 (4) |
| V (Å3) | 978.46 (7) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 0.74 |
| Crystal size (mm) | 0.10 × 0.10 × 0.05 |
| Data collection | |
| Diffractometer | Oxford Diffraction Xcalibur Atlas Nova |
| Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2010 ▸) |
| T min, T max | 0.795, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 19833, 2046, 1674 |
| R int | 0.062 |
| (sin θ/λ)max (Å−1) | 0.630 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.039, 0.109, 1.06 |
| No. of reflections | 2046 |
| No. of parameters | 144 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.28, −0.30 |