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. 2019 Feb 5;75(Pt 3):324–327. doi: 10.1107/S2056989019001816

Table 4. Experimental details.

Crystal data
Chemical formula C14H9BrCl2N2O
M r 372.04
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 11.1952 (18), 14.055 (2), 9.3050 (12)
β (°) 96.446 (6)
V3) 1454.8 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 3.19
Crystal size (mm) 0.30 × 0.20 × 0.20
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2004)
T min, T max 0.448, 0.568
No. of measured, independent and observed [I > 2σ(I)] reflections 11392, 3363, 1724
R int 0.050
(sin θ/λ)max−1) 0.666
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.051, 0.173, 0.94
No. of reflections 3363
No. of parameters 181
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.70, −0.63

Computer programs: APEX2, SAINT and XPREP (Bruker, 2004), SIR92 (Altomare et al., 1993), SHELXL2017 (Sheldrick, 2015) and PLATON (Spek, 2009).