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. 2017 Sep 5;73(Pt 10):1417–1420. doi: 10.1107/S2056989017012488

Table 2. Experimental details.

Crystal data
Chemical formula C18H18N2O3S
M r 342.40
Crystal system, space group Monoclinic, P21
Temperature (K) 298
a, b, c (Å) 12.872 (6), 10.139 (5), 13.460 (6)
β (°) 103.104 (9)
V3) 1710.8 (14)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.21
Crystal size (mm) 0.23 × 0.20 × 0.19
 
Data collection
Diffractometer Bruker SCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.309, 0.900
No. of measured, independent and observed [I > 2σ(I)] reflections 15296, 8079, 6949
R int 0.031
(sin θ/λ)max−1) 0.666
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.049, 0.128, 1.02
No. of reflections 8079
No. of parameters 443
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.37, −0.27
Absolute structure Flack (1983), 4160 Friedel pairs
Absolute structure parameter 0.07 (6)

Computer programs: SMART (Bruker, 2016), SAINT (Bruker, 2016), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008) and OLEX2 (Dolomanov et al., 2009).