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. 2019 Apr 9;75(Pt 5):593–599. doi: 10.1107/S2056989019004250

Table 2. Experimental details.

Crystal data
Chemical formula C20H16Cl2N2O3S
M r 435.31
Crystal system, space group Monoclinic, P21/c
Temperature (K) 150
a, b, c (Å) 18.4615 (8), 12.8567 (5), 7.9251 (4)
β (°) 96.926 (2)
V3) 1867.33 (14)
Z 4
Radiation type Cu Kα
μ (mm−1) 4.40
Crystal size (mm) 0.21 × 0.12 × 0.05
 
Data collection
Diffractometer Bruker D8 VENTURE PHOTON 100 CMOS
Absorption correction Numerical (SADABS; Krause et al., 2015)
T min, T max 0.51, 0.80
No. of measured, independent and observed [I > 2σ(I)] reflections 14033, 3678, 3252
R int 0.032
(sin θ/λ)max−1) 0.619
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.035, 0.093, 1.05
No. of reflections 3678
No. of parameters 317
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.37, −0.38

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2018/1 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).