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. 2023 Jan 6;79(Pt 2):65–69. doi: 10.1107/S205698902201221X

Table 2. Experimental details.

Crystal data
Chemical formula C10H8FIN2O3S
M r 382.14
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 5.0230 (5), 11.3241 (11), 11.5509 (11)
α, β, γ (°) 103.081 (2), 96.742 (1), 97.860 (1)
V3) 626.43 (11)
Z 2
Radiation type Mo Kα
μ (mm−1) 2.74
Crystal size (mm) 0.34 × 0.30 × 0.27
 
Data collection
Diffractometer Bruker APEXII
Absorption correction
No. of measured, independent and observed [I > 2σ(I)] reflections 4073, 3207, 2315
R int 0.035
(sin θ/λ)max−1) 0.673
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.055, 0.166, 1.11
No. of reflections 3207
No. of parameters 164
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.88, −1.39

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXT (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and PLATON (Spek, 2020).