Skip to main content
. 2018 Jun 5;74(Pt 7):878–883. doi: 10.1107/S2056989018007971

Table 4. Experimental details.

Crystal data
Chemical formula C20H13NO2S2
M r 363.43
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 298
a, b, c (Å) 7.6461 (8), 9.8772 (9), 11.2191 (12)
α, β, γ (°) 72.571 (5), 88.496 (6), 86.144 (6)
V3) 806.54 (14)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.34
Crystal size (mm) 0.25 × 0.20 × 0.20
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.921, 0.934
No. of measured, independent and observed [I > 2σ(I)] reflections 16616, 3174, 2458
R int 0.036
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.034, 0.091, 1.03
No. of reflections 3102
No. of parameters 226
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.24, −0.41

Computer programs: APEX2, SAINT and XPREP (Bruker, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and ORTEP-3 for Windows (Farrugia, 2012).