Table 2. Experimental details.

Crystal data
Chemical formula	C10H12N3O3S+·Cl−·H2O
M r	307.75
Crystal system, space group	Monoclinic, P21/c
Temperature (K)	298
a, b, c (Å)	8.8587 (5), 22.1427 (8), 7.1657 (2)
β (°)	108.497 (3)
V (Å3)	1332.98 (10)
Z	4
Radiation type	Mo Kα
μ (mm−1)	0.46
Crystal size (mm)	0.30 × 0.15 × 0.10
Data collection
Diffractometer	Nonius KappaCCD
No. of measured, independent and observed [I > 2σ(I)] reflections	15850, 3856, 3030
R int	0.029
(sin θ/λ)max (Å−1)	0.705
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.037, 0.110, 1.06
No. of reflections	3856
No. of parameters	183
No. of restraints	2
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3)	0.29, −0.24

Computer programs: COLLECT (Hooft, 1998 ▸), DENZO/SCALEPACK (Otwinowski & Minor, 1997 ▸), SIR94 (Burla et al., 2005 ▸), PLATON (Spek, 2009 ▸), SHELXL2014 (Sheldrick, 2015 ▸), publCIF (Westrip, 2010 ▸) and WinGX (Farrugia, 2012 ▸).