Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C5H6N3O2 +H2NO3S |
| M r | 236.21 |
| Crystal system, space group | Orthorhombic, P b c n |
| Temperature (K) | 293 |
| a, b, c () | 28.0866(10), 9.0052(3), 7.4023(2) |
| V (3) | 1872.23(10) |
| Z | 8 |
| Radiation type | Mo K |
| (mm1) | 0.36 |
| Crystal size (mm) | 0.35 0.30 0.25 |
| Data collection | |
| Diffractometer | Bruker Kappa APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2004 ▸) |
| T min, T max | 0.887, 0.917 |
| No. of measured, independent and observed [I > 2(I)] reflections | 15358, 1653, 1557 |
| R int | 0.024 |
| (sin /)max (1) | 0.594 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.055, 0.111, 1.28 |
| No. of reflections | 1653 |
| No. of parameters | 175 |
| No. of restraints | 50 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| max, min (e 3) | 0.27, 0.45 |