[Journal logo]

Volume 69 
Part 11 
Pages i77-i78  
November 2013  

Received 16 October 2013
Accepted 17 October 2013
Online 23 October 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](Se-O) = 0.001 Å
R = 0.015
wR = 0.039
Data-to-parameter ratio = 16.9
Details
Open access

Sodium selenite penta­hydrate, Na2SeO3·5H2O

aInstitute of Chemical Technology and Analytics, Vienna University of Technology, Getreidemarkt 9/164SC, A-1060 Vienna, Austria
Correspondence e-mail: kurt.mereiter@tuwien.ac.at

In the crystal structure of Na2SeO3·5H2O [disodium selen­ate(IV) penta­hydrate], two Se, two selenite O atoms and one water O atom are located on a mirror plane, and one water O atom is located on a twofold rotation axis. The coordination of one Na+ cation is distorted trigonal bipyramidal, formed by three equatorial H2O ligands and two axial selenite O atoms. The other Na+ cation has an octa­hedral coordination by six water mol­ecules. The two independent SeO3 groups form almost undistorted trigonal pyramids, with Se-O bond lengths in the range 1.6856 (7)-1.7202 (10) Å and O-Se-O angles in the range 101.98 (3)-103.11 (5)°, and both are [mu]2-O:O-bonded to a pair of Na+ cations. Hydrogen bonds involving all water molecules and selenite O atoms consolidate the crystal packing. Although anhydrous Na2SeO3 and Na2TeO3 are isotypic, the title compound is surprisingly not isotypic with Na2TeO3·5H2O. In the tellurite hydrate, all Na+ cations have an octa­hedral coordination and the TeO3 groups are bonded to Na+ only via one of their three O atoms.

Related literature

For the crystal structure of Na2TeO3·5H2O, see: Philippot et al. (1979[Philippot, E., Maurin, M. & Moret, J. (1979). Acta Cryst. B35, 1337-1340.]). For crystal structure of anhydrous Na2SeO3 and Na2TeO3, see: Wickleder (2002[Wickleder, M. S. (2002). Acta Cryst. E58, i103-i104.]); Masse et al. (1980[Masse, R., Guitel, J. C. & Tordjman, I. (1980). Mater. Res. Bull. 15, 431-436.]). For the crystal structures of the isotypic series MgSO3·6H2O, MgSeO3·6H2O, MgTeO3·6H2O, and Mg(HPO3)·6H2O, see: Andersen & Lindqvist (1984[Andersen, L. & Lindqvist, O. (1984). Acta Cryst. C40, 584-586.]); Andersen et al. (1984[Andersen, L., Lindqvist, O. & Moret, J. (1984). Acta Cryst. C40, 586-589.]); Powell et al. (1994[Powell, D. R., Smith, S. K., Farrar, T. C. & Ross, F. K. (1994). Acta Cryst. C50, 342-346.]). For Na2(HPO3)·5H2O, see: Brodalla et al. (1978[Brodalla, D., Goeters, C., Kniep, R., Mootz, D. & Wunderlich, H. (1978). Z. Anorg. Allg. Chem. 439, 265-274.]). For pharmaceutical aspects of Na2SeO3·5H2O, see: European Pharmacopoeia (2013[European Pharmacopoeia (2013). European Pharmacopoeia 7.0, Index No. 2944; EDQM - Council of Europe, 7 allée Kastner, CS 30026, F-67081 Strasbourg, France.]). For van der Waals radii, see: Rowland & Taylor (1996[Rowland, R. S. & Taylor, R. (1996). J. Phys. Chem. 100, 7384-7391.]).

Experimental

Crystal data
  • Na2SeO3·5H2O

  • Mr = 263.02

  • Orthorhombic, P b c m

  • a = 6.5865 (2) Å

  • b = 17.2263 (6) Å

  • c = 14.7778 (6) Å

  • V = 1676.70 (10) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 4.58 mm-1

  • T = 100 K

  • 0.35 × 0.21 × 0.14 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2003[Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.503, Tmax = 0.746

  • 23979 measured reflections

  • 2529 independent reflections

  • 2435 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.015

  • wR(F2) = 0.039

  • S = 1.07

  • 2529 reflections

  • 150 parameters

  • 70 restraints

  • All H-atom parameters refined

  • [Delta][rho]max = 0.64 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

Table 1
Selected bond lengths (Å)

Na1-O7W 2.3266 (9)
Na1-O6W 2.3600 (9)
Na1-O2 2.3650 (9)
Na1-O5W 2.3781 (10)
Na1-O4 2.4119 (9)
Na2-O9Wi 2.3458 (9)
Na2-O6W 2.3520 (9)
Na2-O10W 2.3852 (9)
Na2-O8W 2.3930 (9)
Na2-O7Wii 2.4056 (9)
Na2-O9W 2.5108 (9)
Se1-O2 1.6857 (7)
Se1-O2iii 1.6857 (7)
Se1-O1 1.7164 (10)
Se2-O4 1.6856 (7)
Se2-O4iii 1.6856 (7)
Se2-O3 1.7202 (10)
Symmetry codes: (i) [x, -y+{\script{1\over 2}}, -z+1]; (ii) x-1, y, z; (iii) [x, y, -z+{\script{3\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5W-H5A...O3iv 0.83 (1) 2.12 (1) 2.9468 (16) 173 (3)
O5W-H5B...O1iv 0.83 (1) 2.58 (2) 3.3631 (17) 158 (3)
O6W-H6A...O1 0.83 (1) 1.95 (1) 2.7704 (12) 176 (2)
O6W-H6B...O3 0.83 (1) 2.05 (1) 2.8660 (11) 169 (2)
O7W-H7A...O4v 0.83 (1) 1.89 (1) 2.7252 (11) 176 (2)
O7W-H7B...O10Wv 0.83 (1) 2.09 (1) 2.8740 (12) 157 (2)
O8W-H8AB...O2 0.84 (1) 1.96 (1) 2.7744 (9) 166 (1)
O9W-H9A...O1 0.83 (1) 1.99 (1) 2.8027 (11) 168 (2)
O9W-H9B...O2ii 0.83 (1) 1.91 (1) 2.7259 (11) 168 (2)
O10W-H10A...O4v 0.83 (1) 1.96 (1) 2.7672 (11) 164 (2)
O10W-H10B...O3vi 0.83 (1) 2.01 (1) 2.8374 (11) 174 (2)
Symmetry codes: (ii) x-1, y, z; (iv) x+1, y, z; (v) -x+1, -y+1, -z+1; (vi) -x, -y+1, -z+1.

Data collection: SMART (Bruker, 2003[Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2003[Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: DIAMOND (Brandenburg, 2012[Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97 and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT6939 ).


Acknowledgements

The X-ray centre of the Vienna University of Technology is acknowledged for providing access to the single-crystal diffractometer and for financial support.

References

Andersen, L. & Lindqvist, O. (1984). Acta Cryst. C40, 584-586.  [CrossRef] [IUCr Journals]
Andersen, L., Lindqvist, O. & Moret, J. (1984). Acta Cryst. C40, 586-589.  [CrossRef] [IUCr Journals]
Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brodalla, D., Goeters, C., Kniep, R., Mootz, D. & Wunderlich, H. (1978). Z. Anorg. Allg. Chem. 439, 265-274.  [CrossRef] [ChemPort]
Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
European Pharmacopoeia (2013). European Pharmacopoeia 7.0, Index No. 2944; EDQM - Council of Europe, 7 allée Kastner, CS 30026, F-67081 Strasbourg, France.
Masse, R., Guitel, J. C. & Tordjman, I. (1980). Mater. Res. Bull. 15, 431-436.  [CrossRef] [ChemPort] [Web of Science]
Philippot, E., Maurin, M. & Moret, J. (1979). Acta Cryst. B35, 1337-1340.  [CrossRef] [IUCr Journals]
Powell, D. R., Smith, S. K., Farrar, T. C. & Ross, F. K. (1994). Acta Cryst. C50, 342-346.  [CrossRef] [IUCr Journals]
Rowland, R. S. & Taylor, R. (1996). J. Phys. Chem. 100, 7384-7391.  [CrossRef] [ChemPort] [Web of Science]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Wickleder, M. S. (2002). Acta Cryst. E58, i103-i104.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, i77-i78   [ doi:10.1107/S1600536813028602 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.