Table 5. Experimental details.
| Crystal data | |
| Chemical formula | C15H22N4O5S |
| M r | 370.42 |
| Crystal system, space group | Orthorhombic, P b c a |
| Temperature (K) | 293 |
| a, b, c (Å) | 12.4962 (5), 9.9237 (4), 29.5925 (15) |
| V (Å3) | 3669.7 (3) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.21 |
| Crystal size (mm) | 0.4 × 0.2 × 0.1 |
| Data collection | |
| Diffractometer | Rigaku Oxford Diffraction Xcalibur, Sapphire3 |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
| T min, T max | 0.466, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 26547, 3211, 2510 |
| R int | 0.070 |
| (sin θ/λ)max (Å−1) | 0.595 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.050, 0.127, 1.06 |
| No. of reflections | 3211 |
| No. of parameters | 230 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.24, −0.32 |