Bis(tetra­methyl­ammonium) thio­sulfate tetra­hydrate

Yang, Y.-X.; Ng, S.W.

doi:10.1107/S1600536811021672

Volume 67
Part 7
Page o1664
July 2011

Received 5 June 2011
Accepted 6 June 2011
Online 18 June 2011

Key indicators
Single-crystal X-ray study
T = 130 K
Mean (N-C) = 0.003 Å
R = 0.045
wR = 0.127
Data-to-parameter ratio = 20.0
Details

Bis(tetramethylammonium) thiosulfate tetrahydrate

Yun-Xia Yang ^a and Seik Weng Ng ^b ^*

^aKey Laboratory of Polymer Materials of Gansu Province, Ministry of Education, College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, Gansu, People's Republic of China, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The anion of the title salt, 2C₄H₁₂N⁺·S₂O₃^2-·4H₂O, possesses approximate C_3v symmetry. The water molecules themselves engage in hydrogen bonding, forming a ribbon running along the a axis; adjacent chains are linked to the thiosulfate anions by hydrogen bonds, forming a three-dimensional network. The cavities in the network are occupied by the tetramethylammonium counter ions.

Related literature

For tetraethylammonium thiosulfate dihydrate, see: Leyten et al. (1988).

Experimental

Crystal data

2C₄H₁₂N⁺·S₂O₃^2-·4H₂O
M_r = 332.48
Monoclinic, P 2₁ /n
a = 8.1869 (1) Å
b = 15.4342 (2) Å
c = 14.0867 (2) Å
= 94.074 (1)°
V = 1775.47 (4) Å³
Z = 4
Mo K radiation
= 0.33 mm^-1
T = 130 K
0.25 × 0.20 × 0.15 mm

Data collection

Bruker SMART APEX diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.923, T_max = 0.953
11725 measured reflections
4080 independent reflections
3531 reflections with I > 2(I)
R_int = 0.019

Refinement

R[F² > 2(F²)] = 0.045
wR(F²) = 0.127
S = 1.02
4080 reflections
204 parameters
12 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.74 e Å^-3
_min = -0.26 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H11O1	0.83 (1)	1.88 (1)	2.706 (3)	174 (3)
O1W-H12O3W	0.84 (2)	1.92 (2)	2.758 (2)	178 (1)
O2W-H21O1W	0.84 (2)	1.86 (2)	2.689 (2)	172 (2)
O2W-H22O4W	0.84 (2)	1.90 (3)	2.736 (2)	173 (3)
O3W-H31O2ⁱ	0.83 (2)	1.93 (2)	2.759 (2)	172 (2)
O3W-H32O2Wⁱⁱ	0.84 (2)	1.88 (2)	2.713 (2)	173 (2)
O4W-H41S2ⁱⁱⁱ	0.83 (2)	2.51 (2)	3.3280 (19)	170 (2)
O4W-H42O3Wⁱⁱⁱ	0.83 (2)	1.93 (2)	2.760 (2)	179 (2)
Symmetry codes: (i) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (ii) -x+1, -y+2, -z+1; (iii) x-1, y, z.

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5240 ).

Acknowledgements

We thank Northwest Normal University, China, and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Leyten, W., Rettig, S. J. & Trotter, J. (1988). Acta Cryst. C44, 1749-1751.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

organic compounds