Table 3. Experimental details.
Crystal data | |
Chemical formula | C15H13NO2S |
M r | 271.32 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 100 |
a, b, c (Å) | 14.6666 (2), 13.8922 (2), 6.26063 (10) |
β (°) | 100.1273 (14) |
V (Å3) | 1255.74 (3) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.25 |
Crystal size (mm) | 0.22 × 0.22 × 0.15 |
Data collection | |
Diffractometer | XtaLAB Synergy, HyPix |
Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
T min, T max | 0.927, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 123768, 6759, 6156 |
R int | 0.023 |
(sin θ/λ)max (Å−1) | 0.871 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.027, 0.084, 1.04 |
No. of reflections | 6759 |
No. of parameters | 174 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.62, −0.19 |