Table 1. Experimental Details^a.

parameter	(1)	(2)	(3)	(4)
crystal data
chemical formula	2(C9H7NO5S)·H2O	(C9H7NO5S)·C5H9NO	(C9H7NO5S) Na(PO2H2)	C9H5NO5S (NH4)2 H2O·
Mr	500.4	340.4	329.2	293.3
crystal system, space group	monoclinic, P21	monoclinic, P21/c	triclinic, P1̅	triclinic, P1̅
temperature (K)	293	293	150	293
a, b, c (Å)	6.2294 (8), 9.8153 (16), 17.133 (3)	14.7840 (9), 6.8291 (4), 16.0750 (8)	6.2307 (3), 9.0432 (4), 11.7429 (5)	5.6564 (3), 10.7717 (6), 11.2333 (6)
α, β, γ (°)	90, 92.880 (5), 90	90, 106.460 (2), 90	97.642 (2), 93.975 (2), 103.694 (2)	67.751 (2), 80.440 (2), 83.967 (2)
V (Å3)	1046.2 (3)	1556.44 (15)	633.64 (5)	624.01 (6)
Z	2	4	2	2
radiation type	Mo Kα	Mo Kα	Mo Kα	Mo Kα
μ (mm–1)	0.32	0.24	0.45	0.29
crystal size (mm)	0.18 × 0.07 × 0.02	0.24 × 0.09 × 0.08	0.16 × 0.1 × 0.08	0.22 × 0.08 × 0.05
data collection
diffractometer	D8 Venture diffractometer	D8 venture diffractometer	D8 venture diffractometer	D8 Venture diffractometer
absorption correction	Gaussian processed with Jana2006	Gaussian processed with Jana2006	multiscan processed with SADABS	multiscan processed with SADABS
Tmin, Tmax	0.96, 0.99	0.967, 0.985	0.704, 0.749	0.92, 0.98
no. of measured, and independent reflections	21,038, 4325	21,605, 3314	8781, 3842	9883, 3089,
no. of observed reflections	4212 [I > 0σ(I)]	2606 [I > 2σ(I)]	3689 [I > 0σ(I)]	2144 [I > 3σ(I)]
Rint	0.045	0.057	0.02	0.033
(sin θ/λ)max (Å–1)	0.628	0.635	0.715	0.667
refinement
R[F2 > 2σ(F2)], wR(F2), S	0.039, 0.077, 1.09	0.042, 0.132, 1.14	0.043, 0.108, 1.19	0.035, 0.112, 1.12
no. of reflections	4325	3314	3842	3089
no. of parameters	318	218	196	185
no. of restraints	7	2	2	5
Δρmax, Δρmin (e Å–3)	0.13, −0.12	0.19, −0.16	0.37, −0.23	0.30, −0.19

^aThe H atoms were treated by a mixture of independent and constrained refinement.