Table 4. Experimental details.

Crystal data
Chemical formula	C9H7NO3
M r	177.16
Crystal system, space group	Monoclinic, P21
Temperature (K)	193
a, b, c (Å)	6.8165 (3), 4.4676 (2), 13.2879 (6)
β (°)	95.1319 (16)
V (Å3)	403.04 (3)
Z	2
Radiation type	Mo Kα
μ (mm−1)	0.11
Crystal size (mm)	0.40 × 0.30 × 0.10
Data collection
Diffractometer	Bruker D8-Venture Photon III detector
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
T min, T max	0.698, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections	9084, 1954, 1860
R int	0.022
(sin θ/λ)max (Å−1)	0.667
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.030, 0.077, 1.10
No. of reflections	1954
No. of parameters	119
No. of restraints	1
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.20, −0.16

Computer programs: APEX3 and SAINT (Bruker, 2018 ▸), SHELXT (Sheldrick, 2015a ▸), SHELXL2018/3 (Sheldrick, 2015b ▸), SHELXTL (Sheldrick, 2008 ▸), Mercury (Macrae et al., 2020 ▸), PLATON (Spek 2020 ▸) and publCIF (Westrip 2010 ▸).