Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C3H5N2OS+·Cl− |
| M r | 152.60 |
| Crystal system, space group | Orthorhombic, P b c a |
| Temperature (K) | 296 |
| a, b, c (Å) | 7.5106 (11), 9.3140 (13), 17.343 (3) |
| V (Å3) | 1213.2 (3) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.87 |
| Crystal size (mm) | 0.54 × 0.45 × 0.25 |
| Data collection | |
| Diffractometer | Bruker SMART APEXII DUO CCD area detector |
| Absorption correction | Multi-scan (SADABS; Bruker, 2009 ▸) |
| T min, T max | 0.683, 0.832 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 7517, 1798, 1554 |
| R int | 0.020 |
| (sin θ/λ)max (Å−1) | 0.708 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.027, 0.077, 1.05 |
| No. of reflections | 1798 |
| No. of parameters | 73 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.33, −0.22 |