Table 2. Experimental details.

Crystal data
Chemical formula	C7H4F3NO2·H2O
M r	209.13
Crystal system, space group	Monoclinic, P21/c
Temperature (K)	125
a, b, c (Å)	8.9213 (10), 10.0759 (12), 9.1010 (11)
β (°)	99.983 (2)
V (Å3)	805.70 (16)
Z	4
Radiation type	Mo Kα
μ (mm−1)	0.18
Crystal size (mm)	0.32 × 0.25 × 0.14
Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Bruker, 2017 ▸)
T min, T max	0.89, 0.98
No. of measured, independent and observed [I > 2σ(I)] reflections	19282, 2463, 2126
R int	0.026
(sin θ/λ)max (Å−1)	0.715
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.034, 0.103, 1.07
No. of reflections	2463
No. of parameters	139
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3)	0.50, −0.26

Computer programs: APEX2 and SAINT (Bruker, 2017 ▸), SHELXT2014/5 (Sheldrick, 2015a ▸), SHELXL2017/1 (Sheldrick, 2015b ▸), SHELXTL2014 (Sheldrick, 2008 ▸), OLEX2 (Dolomanov et al., 2009 ▸), and Mercury (Macrae et al., 2020 ▸).