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. 2017 Mar 17;73(Pt 4):524–527. doi: 10.1107/S2056989017003978

Table 2. Experimental details.

Crystal data
Chemical formula C16H10Cl2N2O2S
M r 365.22
Crystal system, space group Monoclinic, P21/c
Temperature (K) 273
a, b, c (Å) 19.1513 (7), 11.1589 (4), 7.5071 (3)
β (°) 92.088 (1)
V3) 1603.26 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.55
Crystal size (mm) 0.47 × 0.39 × 0.11
 
Data collection
Diffractometer Bruker SMART APEX CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2000)
T min, T max 0.784, 0.945
No. of measured, independent and observed [I > 2σ(I)] reflections 11526, 3762, 3058
R int 0.022
(sin θ/λ)max−1) 0.667
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.132, 1.12
No. of reflections 3762
No. of parameters 208
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.34, −0.26

Computer programs: SMART and SAINT (Bruker, 2000), SHELXS97, SHELXL97 and SHELXTL (Sheldrick, 2008), PARST (Nardelli, 1995) and PLATON (Spek, 2009).