Table 6. Experimental details.
| Crystal data | |
| Chemical formula | C14H14N4O2·H2O |
| M r | 288.31 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 12.4784 (4), 5.0247 (1), 22.2410 (6) |
| β (°) | 90.170 (3) |
| V (Å3) | 1394.51 (6) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 0.82 |
| Crystal size (mm) | 0.09 × 0.07 × 0.03 |
| Data collection | |
| Diffractometer | XtaLAB Synergy Dualflex AtlasS2 |
| Absorption correction | Gaussian (CrysAlis PRO; Rigaku OD, 2018 ▸) |
| T min, T max | 0.921, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 16961, 2871, 2441 |
| R int | 0.053 |
| (sin θ/λ)max (Å−1) | 0.631 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.043, 0.116, 1.04 |
| No. of reflections | 2871 |
| No. of parameters | 202 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.30, −0.24 |