Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C27H25N3O3S·H2O |
| M r | 489.57 |
| Crystal system, space group | Monoclinic, C2/c |
| Temperature (K) | 150 |
| a, b, c (Å) | 31.083 (3), 12.0766 (10), 14.7678 (12) |
| β (°) | 109.446 (1) |
| V (Å3) | 5227.2 (7) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.16 |
| Crystal size (mm) | 0.28 × 0.15 × 0.10 |
| Data collection | |
| Diffractometer | Bruker SMART APEX CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2015 ▸) |
| T min, T max | 0.86, 0.98 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 24570, 6682, 4746 |
| R int | 0.036 |
| (sin θ/λ)max (Å−1) | 0.682 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.047, 0.140, 1.08 |
| No. of reflections | 6682 |
| No. of parameters | 319 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.56, −0.65 |