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Volume 69 
Part 4 
Page m223  
April 2013  

Received 13 March 2013
Accepted 14 March 2013
Online 20 March 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.042
wR = 0.094
Data-to-parameter ratio = 16.7
Details
Open access

catena-Poly[[[bis(methanol-[kappa]O)bis(selenocyanato-[kappa]N)manganese(II)]-[mu]-1,2-bis(pyridin-4-yl)ethane-[kappa]2N:N'] 1,2-bis(pyridin-4-yl)ethane monosolvate]

aInstitut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany
Correspondence e-mail: swoehlert@ac.uni-kiel.de

The reaction of manganese selenocyanate with 1,2-bis(pyridin-4-yl)ethane (bpa) leads to the title compound, {[Mn(NCSe)2(C12H12N2)(CH3OH)2]·C12H12N2}n. The MnII cation is coordinated by two N-bonded selenocyanate anions, two bpa ligands and two O-bonded methanol molecules, within a slightly distorted octahedral geometry. The MnII cations and the non-coordinating N-donor ligands are located on centers of inversion while the coordinating N-donor co-ligands are located on a twofold rotation axis. In the crystal, the MnII cations are linked into chains along the c-axis direction by the bpa ligands. The chains are further connected via a non-coordinating bpa ligand into layers parallel to (3-10) via O-H...N hydrogen-bonding interactions.

Related literature

For background to this work and the structures of related compounds, see: Boeckmann & Näther (2010[Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 11019-11026.], 2012[Boeckmann, J. & Näther, C. (2012). Polyhedron, 31, 587-595.]), Wöhlert et al. (2012[Wöhlert, S., Ruschewitz, U. & Näther, C. (2012). Cryst. Growth Des. 12, 2715-2718.]), Wöhlert & Näther (2012a[Wöhlert, S. & Näther, C. (2012a). Z. Anorg. Allg. Chem. 638, 2262-2272.],b[Wöhlert, S. & Näther, C. (2012b). Z. Naturforsch. Teil B, 67, 41-50.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(NCSe)2(C12H12N2)(CH4O)2]·C12H12N2

  • Mr = 697.46

  • Monoclinic, C 2/c

  • a = 19.184 (1) Å

  • b = 9.7854 (4) Å

  • c = 17.3468 (9) Å

  • [beta] = 108.624 (4)°

  • V = 3085.9 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.82 mm-1

  • T = 293 K

  • 0.14 × 0.11 × 0.06 mm

Data collection
  • Stoe IPDS-2 diffractometer

  • Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2008[Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.493, Tmax = 0.748

  • 10827 measured reflections

  • 2998 independent reflections

  • 2556 reflections with I > 2[sigma](I)

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](F2)] = 0.042

  • wR(F2) = 0.094

  • S = 1.06

  • 2998 reflections

  • 179 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.56 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

Table 1
Selected bond lengths (Å)

Mn1-N1 2.180 (3)
Mn1-O1 2.211 (2)
Mn1-N10 2.322 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1O1...N20 0.82 1.92 2.731 (3) 173

Data collection: X-AREA (Stoe & Cie, 2008[Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.]); cell refinement: X-AREA; data reduction: X-AREA; 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 2011[Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: XCIF in SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT6898 ).


Acknowledgements

We gratefully acknowledge financial support by the DFG (project No. NA 720/3-1) and the State of Schleswig-Holstein. We thank Professor Dr Wolfgang Bensch for access to his experimental facility.

References

Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 11019-11026.  [CSD] [CrossRef] [ChemPort] [PubMed]
Boeckmann, J. & Näther, C. (2012). Polyhedron, 31, 587-595.  [ISI] [CSD] [CrossRef] [ChemPort]
Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.
Wöhlert, S. & Näther, C. (2012a). Z. Anorg. Allg. Chem. 638, 2262-2272.
Wöhlert, S. & Näther, C. (2012b). Z. Naturforsch. Teil B, 67, 41-50.
Wöhlert, S., Ruschewitz, U. & Näther, C. (2012). Cryst. Growth Des. 12, 2715-2718.


Acta Cryst (2013). E69, m223  [ doi:10.1107/S1600536813007150 ]

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