Table 2. Experimental details.

Crystal data
Chemical formula	C22H24N2O7S·0.5C2H6O·0.5H2O
M r	492.53
Crystal system, space group	Tetragonal, P41212
Temperature (K)	298
a, c (Å)	12.9905 (18), 29.942 (6)
V (Å3)	5052.8 (17)
Z	8
Radiation type	Mo Kα
μ (mm−1)	0.18
Crystal size (mm)	0.3 × 0.3 × 0.2
Data collection
Diffractometer	Bruker P4
No. of measured, independent and observed [I > 2σ(I)] reflections	9575, 4390, 2811
R int	0.079
(sin θ/λ)max (Å−1)	0.592
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.066, 0.183, 1.05
No. of reflections	4390
No. of parameters	329
No. of restraints	30
H-atom treatment	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.62, −0.30
Absolute structure	Flack x determined using 833 quotients [(I +)−(I −)]/[(I +)+(I −)] (Parsons et al., 2013 ▸)
Absolute structure parameter	0.15 (8)

Computer programs: APEX2 and SAINT (Bruker, 2009 ▸), SHELXT (Sheldrick, 2015a ▸), SHELXL2014 (Sheldrick, 2015b ▸) and OLEX2 (Dolomanov et al., 2009 ▸).