Skip to main content
. 2019 Jul 9;75(Pt 8):1123–1127. doi: 10.1107/S2056989019009447

Table 2. Experimental details.

Crystal data
Chemical formula C11H8O5·C2H6OS
M r 298.30
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 23.1461 (12), 8.2631 (4), 14.6374 (8)
β (°) 97.687 (4)
V3) 2774.4 (2)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.26
Crystal size (mm) 0.25 × 0.18 × 0.12
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.742, 0.852
No. of measured, independent and observed [I > 2σ(I)] reflections 25798, 6824, 2743
R int 0.119
(sin θ/λ)max−1) 0.666
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.063, 0.208, 0.87
No. of reflections 6824
No. of parameters 376
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.69, −0.42

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXS2018 (Sheldrick, 2008), SHELXL2018 (Sheldrick, 2015), ORTEP-3 for Windows and Mercury (Macrae et al., 2008), WinGX (Farrugia, 2012); Mercury (Macrae et al., 2008), publCIF (Westrip, 2010) and PLATON (Spek, 2009).