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Volume 65 
Part 10 
Page m1232  
October 2009  

Received 10 September 2009
Accepted 14 September 2009
Online 19 September 2009

Key indicators
Single-crystal X-ray study
T = 123 K
Mean [sigma](C-C) = 0.002 Å
R = 0.028
wR = 0.072
Data-to-parameter ratio = 16.5
Details
Open access

Disodium (2RS,3SR)-tartrate

aSchering-Plough Research Institute, Newhouse, Motherwell ML1 5SH, Scotland, and bDepartment of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland
Correspondence e-mail: a.r.kennedy@strath.ac.uk

The asymmetric unit of the anhydrous title compound, 2Na+·C4H4O62-, contains two sodium cations and one tartrate anion. Each sodium ion is six coordinate, with bonding to six O atoms from both the carboxylate and hydroxyl groups of the anion. A three-dimensional coordination network is formed with sodium ions stacking in layers along the c-axis direction. This network is supported by additional O-H...O hydrogen bonds.

Related literature

For the preparation and structure of the equivalent anhydrous meso-tartrate salt, see: Blankensteyn & Kroon (1985[Blankensteyn, A. J. A. R. & Kroon, J. (1985). Acta Cryst. C41, 182-184.]). For similar hydrated tartrate salt examples using sodium or mixed sodium with lithium, potassium, rubidium or ammonium cations, see: Ambady & Kartha (1968[Ambady, G. K. & Kartha, G. (1968). Acta Cryst. B24, 1540-1547.]); Suzuki et al. (1996[Suzuki, E., Kabasawa, H., Honma, T., Nozaki, R. & Shiozaki, Y. (1996). Acta Cryst. B52, 976-981.]); Buschmann & Luger (1985[Buschmann, J. & Luger, P. (1985). Acta Cryst. C41, 206-208.]); Görbitz & Sagstuen (2008[Görbitz, C. H. & Sagstuen, E. (2008). Acta Cryst. E64, m507-m508.]); Hinazumi & Mitsui (1972[Hinazumi, H. & Mitsui, T. (1972). Acta Cryst. B28, 3299-3305.]). For the use of tartrates as food additives, see: Vickers et al. (2007[Vickers, P. J., Braybook, J., Lawrence, P. & Gray, K. (2007). J. Food. Compos. Anal. 20, 252-256.]).

[Scheme 1]

Experimental

Crystal data
  • 2Na+·C4H4O62-

  • Mr = 194.06

  • Orthorhombic, P b c a

  • a = 10.1160 (4) Å

  • b = 10.0049 (5) Å

  • c = 13.0821 (5) Å

  • V = 1324.03 (10) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.29 mm-1

  • T = 123 K

  • 0.24 × 0.15 × 0.09 mm

Data collection
  • Oxford Diffraction Gemini S CCD diffractometer

  • Absorption correction: multi-scan (ABSPACK; Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]) Tmin = 0.894, Tmax = 1.000

  • 7156 measured reflections

  • 1934 independent reflections

  • 1566 reflections with I > 2/s(I)

  • Rint = 0.024

Refinement
  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.072

  • S = 1.05

  • 1934 reflections

  • 117 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H2...O2i 0.900 (17) 1.752 (18) 2.6480 (12) 173.2 (17)
O6-H4...O5ii 0.883 (17) 1.787 (17) 2.6643 (12) 172.0 (18)
Symmetry codes: (i) [-x+{\script{3\over 2}}, y+{\script{1\over 2}}, z]; (ii) [x-{\script{1\over 2}}, -y-{\script{1\over 2}}, -z].

Data collection: CrysAlis CCD (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK2539 ).


Acknowledgements

The authors thank Schering-Plough for funding towards a studentship (CAM).

References

Ambady, G. K. & Kartha, G. (1968). Acta Cryst. B24, 1540-1547.  [CrossRef] [details]
Blankensteyn, A. J. A. R. & Kroon, J. (1985). Acta Cryst. C41, 182-184.  [CrossRef] [details]
Buschmann, J. & Luger, P. (1985). Acta Cryst. C41, 206-208.  [CrossRef] [details]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Görbitz, C. H. & Sagstuen, E. (2008). Acta Cryst. E64, m507-m508.  [CSD] [CrossRef] [details]
Hinazumi, H. & Mitsui, T. (1972). Acta Cryst. B28, 3299-3305.  [CrossRef] [ChemPort] [details] [ISI]
Oxford Diffraction (2007). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Suzuki, E., Kabasawa, H., Honma, T., Nozaki, R. & Shiozaki, Y. (1996). Acta Cryst. B52, 976-981.  [CrossRef] [ISI] [details]
Vickers, P. J., Braybook, J., Lawrence, P. & Gray, K. (2007). J. Food. Compos. Anal. 20, 252-256.  [ChemPort]


Acta Cryst (2009). E65, m1232  [ doi:10.1107/S1600536809037155 ]

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