Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C12H13N3 |
| M r | 199.25 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 120 |
| a, b, c (Å) | 10.5351 (4), 19.1686 (7), 22.1162 (8) |
| β (°) | 102.778 (4) |
| V (Å3) | 4355.6 (3) |
| Z | 16 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.08 |
| Crystal size (mm) | 0.20 × 0.15 × 0.10 |
| Data collection | |
| Diffractometer | Agilent SuperNova, Dual, Cu at zero, Atlas |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku, 2015) |
| T min, T max | 0.960, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 16540, 7552, 4410 |
| R int | 0.053 |
| (sin θ/λ)max (Å−1) | 0.595 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.056, 0.149, 1.00 |
| No. of reflections | 7552 |
| No. of parameters | 565 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.24, −0.29 |