Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C10H8NS+·Cl−·H2O |
| M r | 227.70 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 7.0543 (11), 7.8252 (11), 18.223 (3) |
| β (°) | 94.752 (7) |
| V (Å3) | 1002.5 (3) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.55 |
| Crystal size (mm) | 0.32 × 0.15 × 0.06 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2001 ▸) |
| T min, T max | 0.695, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 6361, 1968, 1474 |
| R int | 0.056 |
| (sin θ/λ)max (Å−1) | 0.617 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.042, 0.096, 1.04 |
| No. of reflections | 1968 |
| No. of parameters | 179 |
| No. of restraints | 16 |
| H-atom treatment | Only H-atom displacement parameters refined |
| Δρmax, Δρmin (e Å−3) | 0.32, −0.30 |