Table 3. Experimental details.

Crystal data
Chemical formula	C15H8BrF6N
M r	396.13
Crystal system, space group	Monoclinic, P21/c
Temperature (K)	100
a, b, c (Å)	13.261 (2), 7.7224 (12), 14.176 (2)
β (°)	93.394 (2)
V (Å3)	1449.2 (4)
Z	4
Radiation type	Mo Kα
μ (mm−1)	2.90
Crystal size (mm)	0.25 × 0.20 × 0.15
Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
Tmin, Tmax	0.575, 0.747
No. of measured, independent and observed [I > 2σ(I)] reflections	23866, 5193, 3166
R int	0.053
(sin θ/λ)max (Å−1)	0.766
Refinement
R[F2 > 2σ(F2)], wR(F2), S	0.046, 0.137, 1.06
No. of reflections	5193
No. of parameters	217
No. of restraints	189
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.89, −0.68

Computer programs: APEX2 and SAINT (Bruker 2017 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2019/2 (Sheldrick, 2015 ▸), OLEX2 (Dolomanov et al., 2009 ▸), Mercury (Macrae et al., 2020 ▸) and publCIF (Westrip, 2010 ▸).