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. 2026 Jun 12;82(Pt 7):816–820. doi: 10.1107/S205698902600602X

Table 2. Experimental details.

Crystal data
Chemical formula C10H11ClN2OS
M r 242.72
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 11.971 (1), 4.1187 (6), 23.100 (2)
β (°) 96.44 (1)
V (Å3) 1131.8 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.50
Crystal size (mm) 0.50 × 0.48 × 0.36
 
Data collection
Diffractometer Oxford Diffraction Xcalibur with Sapphire CCD detector
Absorption correction Multi-scan (CrysAlis RED; Oxford Diffraction, 2006 ▸)
Tmin, Tmax 0.790, 0.842
No. of measured, independent and observed [I > 2σ(I)] reflections 3971, 2291, 1809
R int 0.012
(sin θ/λ)max (Å−1) 0.625
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.043, 0.113, 1.10
No. of reflections 2291
No. of parameters 143
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.31, −0.25

Computer programs: CrysAlis CCD and CrysAlis RED (Oxford Diffraction, 2006 ▸), SHELXT2014/5 (Sheldrick, 2015a ▸), SHELXL2018/3 (Sheldrick, 2015b ▸), ORTEP-3 for Windows and WinGX publication routines (Farrugia, 2012 ▸) and PLATON (Spek, 2020 ▸).