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. 2019 Sep 10;75(Pt 10):1452–1455. doi: 10.1107/S2056989019012544

Table 4. Experimental details.

Crystal data
Chemical formula C10H13Cl2NO2·C6H4Cl2O
M r 413.10
Crystal system, space group Monoclinic, C c
Temperature (K) 100
a, b, c (Å) 26.406 (2), 9.5558 (9), 7.1019 (6)
β (°) 101.076 (2)
V3) 1758.6 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.69
Crystal size (mm) 0.39 × 0.20 × 0.17
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.688, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 15694, 4227, 3842
R int 0.053
(sin θ/λ)max−1) 0.673
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.037, 0.092, 1.03
No. of reflections 4227
No. of parameters 220
No. of restraints 4
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.52, −0.26
Absolute structure Refined as an inversion twin
Absolute structure parameter 0.03 (8)

Computer programs: APEX2 (Bruker, 2014), SAINT (Bruker, 2016), SHELXT2014/5 (Sheldrick, 2015b ), SHELXL (Sheldrick, 2015a ) and OLEX2 (Dolomanov et al., 2009).