Skip to main content
. 2020 Sep 4;76(Pt 10):1591–1594. doi: 10.1107/S2056989020012128

Table 2. Experimental details.

Crystal data
Chemical formula C17H16N2OS
M r 296.38
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 17.251 (1), 5.6849 (3), 17.3101 (11)
β (°) 116.958 (4)
V3) 1513.14 (16)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.21
Crystal size (mm) 0.67 × 0.34 × 0.04
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.896, 0.983
No. of measured, independent and observed [I > 2σ(I)] reflections 10315, 2962, 1950
R int 0.048
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.099, 0.98
No. of reflections 2962
No. of parameters 191
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.14, −0.13

Computer programs: X-AREA and X-RED32 (Stoe & Cie, 2002), SHELXT2017/1 (Sheldrick, 2015a ), SHELXL2017/1 (Sheldrick, 2015b ), PLATON (Spek, 2020) and WinGX (Farrugia, 2012).