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. 2018 Jul 24;74(Pt 8):1134–1137. doi: 10.1107/S2056989018010216

Table 2. Experimental details.

Crystal data
Chemical formula C13H6Cl3FOS
M r 335.60
Crystal system, space group Monoclinic, P21/c
Temperature (K) 294
a, b, c (Å) 3.9564 (8), 13.367 (2), 25.173 (5)
β (°) 93.363 (4)
V3) 1329.0 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.84
Crystal size (mm) 0.44 × 0.19 × 0.14
 
Data collection
Diffractometer Bruker APEXII DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.708, 0.894
No. of measured, independent and observed [I > 2σ(I)] reflections 3901, 3901, 2430
R int 0.000
(sin θ/λ)max−1) 0.707
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.076, 0.218, 1.04
No. of reflections 3901
No. of parameters 173
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.46, −0.48

Computer programs: APEX2 and SAINT (Bruker, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2013 (Sheldrick, 2015), Mercury (Macrae et al., 2006) and PLATON (Spek, 2009).