Table 2. Experimental details.

Crystal data
Chemical formula	C10H5F3O5S
M r	294.20
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	150
a, b, c (Å)	20.4767 (9), 6.0828 (3), 18.2181 (8)
β (°)	102.137 (2)
V (Å3)	2218.45 (18)
Z	8
Radiation type	Mo Kα
μ (mm−1)	0.35
Crystal size (mm)	0.17 × 0.06 × 0.03
Data collection
Diffractometer	Bruker D8
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
Tmin, Tmax	0.927, 0.988
No. of measured, independent and observed [I > 2σ(I)] reflections	28942, 3542, 2127
R int	0.069
(sin θ/λ)max (Å−1)	0.725
Refinement
R[F2 > 2σ(F2)], wR(F2), S	0.044, 0.107, 1.04
No. of reflections	3542
No. of parameters	172
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.35, −0.37

Computer programs: APEX5 and SAINT (Bruker, 2024 ▸), SHELXT2018/2 (Sheldrick, 2015a ▸), SHELXL2019/2 (Sheldrick, 2015b ▸) and SHELXTL (Sheldrick, 2008 ▸).