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. 2017 Mar 7;73(Pt 4):476–480. doi: 10.1107/S2056989017003437

Table 2. Experimental details.

Crystal data
Chemical formula C15H15NOS
M r 257.34
Crystal system, space group Monoclinic, P21/n
Temperature (K) 120
a, b, c (Å) 6.2405 (4), 9.9975 (6), 20.7815 (13)
β (°) 93.097 (2)
V3) 1294.65 (14)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.24
Crystal size (mm) 0.53 × 0.16 × 0.09
 
Data collection
Diffractometer Bruker APEXII CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.885, 0.979
No. of measured, independent and observed [I > 2σ(I)] reflections 50820, 3381, 3116
R int 0.031
(sin θ/λ)max−1) 0.677
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.068, 0.182, 1.14
No. of reflections 3381
No. of parameters 166
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.16, −0.81

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXS97 (Sheldrick, 2008), SHELXL2016 (Sheldrick, 2015), WinGX (Farrugia, 2012), DIAMOND (Brandenburg, 2006), GOLD (Chen et al., 2015), Crystal Explorer (Wolff et al., 2012), publCIF (Westrip, 2010) and enCIFer (Allen et al., 2004).