Bis(μ-pyridinium-2-carboxyl­ato-κ2O:O′)bis­[triaqua­(sulfato-κO)manganese(II)]

Rasekh, H.A.; Bahrami, B.

doi:10.1107/S1600536811054596

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 (C-C) = 0.005 Å
R = 0.028
wR = 0.075
Data-to-parameter ratio = 10.7
Details

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

Hossein Ali Rasekh ^a ^* and Bohlul Bahrami ^a

^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 Mn^II 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-HO and O-HO 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). For background to the applications of Mn^II complexes, see: Lee et al. (2004); Mautner et al. (1997).

Experimental

Crystal data

[Mn₂(SO₄)₂(C₆H₅NO₂)₂(H₂O)₆]
M_r = 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 radiation
= 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) T_min = 0.702, T_max = 0.792
5787 measured reflections
1945 independent reflections
1386 reflections with I > 2(I)
R_int = 0.033

Refinement

R[F² > 2(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
_max = 0.28 e Å^-3
_min = -0.24 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1O5ⁱ	0.86	1.97	2.799 (3)	161
O1W-H11O5ⁱⁱ	0.81 (2)	2.06 (2)	2.856 (3)	168 (3)
O1W-H12O5ⁱ	0.84 (2)	1.91 (2)	2.735 (3)	173 (3)
O2W-H21O4ⁱⁱ	0.82 (2)	1.90 (2)	2.704 (3)	167 (4)
O2W-H22O4ⁱⁱⁱ	0.83 (2)	1.97 (2)	2.758 (3)	158 (3)
O3W-H31O6ⁱⁱ	0.82 (2)	1.92 (2)	2.736 (3)	177 (4)
O3W-H32O6^iv	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); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009).

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.
Mautner, F. A., Abu-Youssef, M. A. M. & Goher, M. A. S. (1997). Polyhedron, 16, 235-241.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

metal-organic compounds

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