Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C10H10N4OS·H2O |
| M r | 252.30 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 298 |
| a, b, c (Å) | 9.051 (5), 11.526 (5), 10.893 (6) |
| β (°) | 90.345 (16) |
| V (Å3) | 1136.5 (10) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.28 |
| Crystal size (mm) | 0.14 × 0.06 × 0.06 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2016 ▸) |
| T min, T max | 0.585, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 13093, 2164, 995 |
| R int | 0.164 |
| (sin θ/λ)max (Å−1) | 0.611 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.055, 0.131, 0.93 |
| No. of reflections | 2164 |
| No. of parameters | 172 |
| No. of restraints | 4 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.26, −0.26 |