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. 2026 Sep 3;82(Pt 10):1107–1111. doi: 10.1107/S2056989026008819

Table 2. Experimental details.

Crystal data
Chemical formula C22H17ClN2O2S2
M r 440.94
Crystal system, space group Monoclinic, C2/c
Temperature (K) 300
a, b, c (Å) 20.7798 (3), 13.1963 (4), 16.1047 (4)
β (°) 102.440 (3)
V (Å3) 4312.49 (19)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.39
Crystal size (mm) 0.35 × 0.25 × 0.18
 
Data collection
Diffractometer Bruker D8 Venture Diffractometer
No. of measured, independent and observed [I > 2σ(I)] reflections 53818, 3823, 2660
R int 0.117
(sin θ/λ)max (Å−1) 0.597
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.051, 0.133, 1.06
No. of reflections 3823
No. of parameters 263
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.21, −0.34

Computer programs: APEX4, SAINT and XPREP (Bruker, 2021 ▸), SHELXT2018/2 (Sheldrick, 2015a ▸), SHELXL2018/3 (Sheldrick, 2015b ▸) and ORTEP-3 for Windows and WinGX publication routines (Farrugia, 2012 ▸).