Skip to main content
. 2018 Nov 16;74(Pt 12):1800–1803. doi: 10.1107/S2056989018016043

Table 2. Experimental details.

Crystal data
Chemical formula C13H12O2S2
M r 264.35
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 7.806 (4), 8.263 (3), 10.414 (6)
α, β, γ (°) 97.260 (11), 109.65 (2), 93.79 (2)
V3) 623.3 (5)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.41
Crystal size (mm) 0.30 × 0.26 × 0.20
 
Data collection
Diffractometer Bruker APEX
No. of measured, independent and observed [I > 2σ(I)] reflections 2924, 2165, 1899
R int 0.109
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.128, 1.09
No. of reflections 2165
No. of parameters 157
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.37, −0.33

Computer programs: APEX2 (Bruker, 2006), SAINT (Bruker, 2006), SHELXS97 (Sheldrick, 2008), SHELXL2018 (Sheldrick, 2015), PLATON (Spek, 2009) and Mercury (Macrae et al., 2008), PLATON (Spek, 2009).