Table 3. Experimental details.

Crystal data
Chemical formula	[Cu(C9H9BrNO2)(NCS)]·0.5C7H5BrO2·0.5H2O
M r	948.44
Crystal system, space group	Monoclinic, P21/c
Temperature (K)	296
a, b, c (Å)	18.4400 (5), 13.7346 (3), 13.6402 (3)
β (°)	103.136 (1)
V (Å3)	3364.20 (14)
Z	4
Radiation type	Mo Kα
μ (mm−1)	5.00
Crystal size (mm)	0.2 × 0.2 × 0.2
Data collection
Diffractometer	Bruker D8 Venture Equipped with PhotonII Detector
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
No. of measured, independent and observed [I > 2σ(I)] reflections	60122, 6909, 5316
R int	0.070
(sin θ/λ)max (Å−1)	0.626
Refinement
R[F2 > 2σ(F2)], wR(F2), S	0.034, 0.081, 1.01
No. of reflections	6909
No. of parameters	412
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.62, −0.61

Computer programs: APEX and SAINT (Bruker, 2014 ▸), OLEX2.solve (Bourhis et al., 2015), SHELXL2018/3 (Sheldrick, 2015 ▸) and OLEX2 (Dolomanov et al., 2009 ▸).