Table 2. Experimental details.

Crystal data
Chemical formula	C9H13N3O
M r	179.22
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	100
a, b, c (Å)	24.7018 (6), 6.3093 (1), 13.2103 (3)
β (°)	118.0496 (8)
V (Å3)	1817.01 (7)
Z	8
Radiation type	Cu Kα
μ (mm−1)	0.72
Crystal size (mm)	0.25 × 0.24 × 0.23
Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (AXScale; Bruker, 2016 ▸)
T min, T max	0.684, 0.754
No. of measured, independent and observed [I > 2σ(I)] reflections	15813, 1786, 1770
R int	0.019
(sin θ/λ)max (Å−1)	0.618
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.036, 0.098, 1.07
No. of reflections	1786
No. of parameters	130
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3)	0.22, −0.22

Computer programs: APEX3 and SAINT (Bruker, 2016 ▸), SHELXS (Sheldrick, 2008 ▸), SHELXL (Sheldrick, 2015 ▸), OLEX2 (Dolomanov et al., 2009 ▸), CrystalExplorer17.5 (Mackenzie et al., 2017 ▸), Mercury (Macrae et al., 2020 ▸), and publCIF (Westrip, 2010 ▸).