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Volume 68 
Part 1 
Page m88  
January 2012  

Received 11 December 2011
Accepted 19 December 2011
Online 23 December 2011

Key indicators
Single-crystal X-ray study
T = 291 K
Mean [sigma](C-C) = 0.005 Å
R = 0.028
wR = 0.075
Data-to-parameter ratio = 10.7
Details
Open access

Bis([mu]-pyridinium-2-carboxylato-[kappa]2O:O')bis[triaqua(sulfato-[kappa]O)manganese(II)]

aDepartment of Chemistry, Islamic Azad University, Firoozabad Branch, Firoozabad, Fars, Iran
Correspondence e-mail: Dr.H.A.Rasekh@gmail.com

The asymmetric unit of the title compound, [Mn2(SO4)2(C6H5NO2)2(H2O)6], comprises half of a centrosymmetric dimer. The MnII atom is coordinated by two O atoms of the monodentate carboxylate ligand, an O atom of the sulfate anion in axial position and three water molecules in a distorted octahedral geometry. In the crystal, molecules are connected through N-H...O and O-H...O hydrogen bonds, forming a three-dimensional network. The crystal structure is further stabilized by intermolecular [pi]-[pi] interactions [centroid-centroid distance = 3.842 (2) Å].

Related literature

For standard bond lengths, see: Allen et al. (1987[Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.]). For background to the applications of MnII complexes, see: Lee et al. (2004[Lee, S., Shin, D. M. & Chung, Y. K. (2004). Chem. Eur. J. 10, 3158-3163.]); Mautner et al. (1997[Mautner, F. A., Abu-Youssef, M. A. M. & Goher, M. A. S. (1997). Polyhedron, 16, 235-241.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn2(SO4)2(C6H5NO2)2(H2O)6]

  • Mr = 656.32

  • Orthorhombic, P b c a

  • a = 16.886 (3) Å

  • b = 7.6022 (15) Å

  • c = 18.070 (4) Å

  • V = 2319.6 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.36 mm-1

  • T = 291 K

  • 0.28 × 0.22 × 0.18 mm

Data collection
  • Bruker SMART APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.702, Tmax = 0.792

  • 5787 measured reflections

  • 1945 independent reflections

  • 1386 reflections with I > 2[sigma](I)

  • Rint = 0.033

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

  • wR(F2) = 0.075

  • S = 1.26

  • 1944 reflections

  • 181 parameters

  • 9 restraints

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

  • [Delta][rho]max = 0.28 e Å-3

  • [Delta][rho]min = -0.24 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...O5i 0.86 1.97 2.799 (3) 161
O1W-H11...O5ii 0.81 (2) 2.06 (2) 2.856 (3) 168 (3)
O1W-H12...O5i 0.84 (2) 1.91 (2) 2.735 (3) 173 (3)
O2W-H21...O4ii 0.82 (2) 1.90 (2) 2.704 (3) 167 (4)
O2W-H22...O4iii 0.83 (2) 1.97 (2) 2.758 (3) 158 (3)
O3W-H31...O6ii 0.82 (2) 1.92 (2) 2.736 (3) 177 (4)
O3W-H32...O6iv 0.83 (2) 1.84 (2) 2.660 (3) 172 (3)
Symmetry codes: (i) [-x+2, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) x, y-1, z; (iii) -x+2, -y+1, -z+1; (iv) [-x+{\script{5\over 2}}, y-{\script{1\over 2}}, z].

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2328 ).


Acknowledgements

HAR and BB thank Islamic Azad University, Firoozabad Branch. BB thanks Dr Reza Kia for the data collection, structure determination, refinement and manuscript preparation.

References

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.
Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Lee, S., Shin, D. M. & Chung, Y. K. (2004). Chem. Eur. J. 10, 3158-3163.  [CrossRef] [PubMed] [ChemPort]
Mautner, F. A., Abu-Youssef, M. A. M. & Goher, M. A. S. (1997). Polyhedron, 16, 235-241.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]


Acta Cryst (2012). E68, m88  [ doi:10.1107/S1600536811054596 ]

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