Table 2. Experimental details.

Crystal data
Chemical formula	C8H7NO3
M r	165.15
Crystal system, space group	Monoclinic, P21/n
Temperature (K)	150
a, b, c (Å)	6.8724 (14), 33.502 (7), 7.3449 (15)
β (°)	117.238 (3)
V (Å3)	1503.6 (5)
Z	8
Radiation type	Mo Kα
μ (mm−1)	0.11
Crystal size (mm)	0.36 × 0.17 × 0.10
Data collection
Diffractometer	Bruker SMART APEX CCD
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
T min, T max	0.82, 0.99
No. of measured, independent and observed [I > 2σ(I)] reflections	28032, 3858, 2836
R int	0.048
(sin θ/λ)max (Å−1)	0.675
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.046, 0.127, 1.05
No. of reflections	3858
No. of parameters	217
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.31, −0.19

Computer programs: APEX3 and SAINT (Bruker, 2016 ▸), SHELXT (Sheldrick, 2015a ▸), SHELXL2018/3 (Sheldrick, 2015b ▸), DIAMOND (Brandenburg & Putz, 2012 ▸), PLATON (Spek, 2020 ▸) and publCIF (Westrip, 2010 ▸).