Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C9H11N3O2S |
| M r | 225.27 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c () | 7.3058(2), 6.0582(1), 22.6041(6) |
| () | 91.100(2) |
| V (3) | 1000.27(4) |
| Z | 4 |
| Radiation type | Mo K |
| (mm1) | 0.31 |
| Crystal size (mm) | 0.48 0.19 0.14 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Sheldrick, 1996 ▸) |
| T min, T max | 0.866, 0.957 |
| No. of measured, independent and observed [I > 2(I)] reflections | 9696, 2302, 1950 |
| R int | 0.027 |
| (sin /)max (1) | 0.650 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.035, 0.086, 1.06 |
| No. of reflections | 2302 |
| No. of parameters | 153 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| max, min (e 3) | 0.30, 0.31 |