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. 2019 Oct 22;75(Pt 11):1650–1656. doi: 10.1107/S2056989019013586

Table 5. Experimental details.

Crystal data
Chemical formula C22H15Cl2NOS
M r 412.31
Crystal system, space group Monoclinic, P21/c
Temperature (K) 150
a, b, c (Å) 9.0373 (7), 16.6798 (13), 12.511 (1)
β (°) 95.982 (2)
V3) 1875.6 (3)
Z 4
Radiation type Cu Kα
μ (mm−1) 4.25
Crystal size (mm) 0.15 × 0.13 × 0.09
 
Data collection
Diffractometer Bruker D8 VENTURE PHOTON 100 CMOS
Absorption correction Numerical (SADABS; Krause et al., 2015)
T min, T max 0.59, 0.70
No. of measured, independent and observed [I > 2σ(I)] reflections 48886, 3847, 3650
R int 0.038
(sin θ/λ)max−1) 0.625
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.026, 0.070, 1.05
No. of reflections 3847
No. of parameters 304
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.22, −0.26

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