Table 3. Experimental details.

Crystal data
Chemical formula	C11H17N3OS
M r	239.34
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	296
a, b, c (Å)	26.6370 (9), 10.7617 (4), 20.2108 (7)
β (°)	121.932 (1)
V (Å3)	4916.9 (3)
Z	16
Radiation type	Cu Kα
μ (mm−1)	2.21
Crystal size (mm)	0.70 × 0.46 × 0.44
Data collection
Diffractometer	Bruker D8 Quest Photon II area detector diffractometer
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
T min, T max	0.647, 0.754
No. of measured, independent and observed [I > 2σ(I)] reflections	47973, 4791, 4783
R int	0.026
(sin θ/λ)max (Å−1)	0.618
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.043, 0.112, 1.07
No. of reflections	4791
No. of parameters	295
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.58, −0.33

Computer programs: APEX3 and SAINT (Bruker, 2015 ▸), SHELXT2014/5 (Sheldrick, 2015a ▸), SHELXL2018/3 (Sheldrick, 2015b ▸), DIAMOND (Brandenburg, 2006 ▸), publCIF (Westrip, 2010 ▸) and enCIFer (Allen et al., 2004 ▸).