Table 3. Experimental details.

Crystal data
Chemical formula	C14H14N2OS2·H2O
M r	308.41
Crystal system, space group	Tetragonal, I41 c d
Temperature (K)	293
a, c (Å)	28.3247 (7), 7.2820 (2)
V (Å3)	5842.3 (3)
Z	16
Radiation type	Mo Kα
μ (mm−1)	0.37
Crystal size (mm)	0.35 × 0.20 × 0.15
Data collection
Diffractometer	Nonius KappaCCD
Absorption correction	Multi-scan (Blessing, 1995 ▸)
T min, T max	0.927, 0.963
No. of measured, independent and observed [I > 2σ(I)] reflections	22803, 3672, 2765
R int	0.044
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.036, 0.102, 1.04
No. of reflections	3672
No. of parameters	211
No. of restraints	43
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3)	0.22, −0.29
Absolute structure	Flack x determined using 1012 quotients [(I +)−(I −)]/[(I +)+(I −)] (Parsons et al. 2013 ▸)
Absolute structure parameter	−0.01 (4)

Computer programs: COLLECT (Nonius, 1997 ▸), DENZO/SCALEPACK (Otwinowski & Minor, 1997 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2014 (Sheldrick, 2015 ▸), ORTEP-3 for Windows and WinGX (Farrugia, 2012 ▸), PLATON (Spek, 2009 ▸), OLEX2 (Dolomanov et al., 2009 ▸) and publCIF (Westrip, 2010 ▸).