Table 2. Experimental details.

Crystal data
Chemical formula	C7H12O3
M r	144.17
Crystal system, space group	Triclinic, P
Temperature (K)	200
a, b, c (Å)	6.5906 (2), 11.1237 (3), 11.3502 (3)
α, β, γ (°)	109.798 (1), 96.912 (1), 102.830 (1)
V (Å3)	745.83 (4)
Z	4
Radiation type	Mo Kα
μ (mm−1)	0.10
Crystal size (mm)	0.59 × 0.54 × 0.35
Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
Tmin, Tmax	0.969, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	23049, 3702, 3151
R int	0.019
(sin θ/λ)max (Å−1)	0.668
Refinement
R[F2 > 2σ(F2)], wR(F2), S	0.035, 0.093, 1.04
No. of reflections	3702
No. of parameters	186
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.32, −0.15

Computer programs: APEX2 and SAINT (Bruker, 2014 ▸), SHELXS97 (Sheldrick 2008 ▸), SHELXL2019/3 (Sheldrick, 2015 ▸), ORTEP-3 for Windows (Farrugia, 2012 ▸), Mercury (Macrae et al., 2020 ▸), SHELXL2019/3 (Sheldrick, 2015 ▸) and PLATON (Spek, 2020 ▸).