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Volume 68 
Part 12 
Page m1435  
December 2012  

Received 12 September 2012
Accepted 26 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.045
wR = 0.098
Data-to-parameter ratio = 14.3
Details
Open access

Poly[([mu]3-pyridine-4-carboxylato-[kappa]3O:O':N)(pyridin-1-ium-4-carboxylato-[kappa]O)(thiocyanato-[kappa]N)cobalt(II)]

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

In the title compound, [Co(C6H5NO2)(NCS)(C6H4NO2)]n, the Co2+ cation is coordinated by one N and two O atoms of three bridging pyridine-4-carboxylate anions, one O atom of one zwitterionic pyridinium-4-carboxylate ligand and one terminal N-bonding thiocyanate anion within a distorted N2O3 trigonal bipyramid. The bridging coordination mode of the ligands leads to the formation of layers parallel to (-101). N-H...O hydrogen-bonding interactions within the layers and S...S contacts of 3.257 (3) Å between the layers lead to the cohesion of the structure.

Related literature

For general background information on the synthesis and properties of transition metal-thiocyanate coordination polymers, see: Boeckmann & Näther (2010[Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 11019-11026.], 2011[Boeckmann, J. & Näther, C. (2011). Chem. Commun. 47, 7104-7106.]); Wöhlert et al. (2011[Wöhlert, S., Boeckmann, J., Wriedt, M. & Näther, C. (2011). Angew. Chem. Int. Ed. 50, 6920-6923.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C6H5NO2)(NCS)(C6H4NO2)]

  • Mr = 362.22

  • Monoclinic, P 21 /n

  • a = 8.7857 (7) Å

  • b = 13.5401 (8) Å

  • c = 12.2054 (9) Å

  • [beta] = 95.740 (6)°

  • V = 1444.67 (18) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.35 mm-1

  • T = 293 K

  • 0.18 × 0.13 × 0.04 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 = 0.808, Tmax = 0.954

  • 12489 measured reflections

  • 2844 independent reflections

  • 2353 reflections with I > 2[sigma](I)

  • Rint = 0.041

Refinement
  • R[F2 > 2[sigma](F2)] = 0.045

  • wR(F2) = 0.098

  • S = 1.13

  • 2844 reflections

  • 199 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.46 e Å-3

  • [Delta][rho]min = -0.39 e Å-3

Table 1
Selected bond lengths (Å)

Co1-O22 2.004 (2)
Co1-O21i 2.004 (2)
Co1-N1 2.010 (4)
Co1-O12 2.097 (2)
Co1-N21ii 2.146 (2)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N11-H1N...O11iii 0.86 1.80 2.561 (4) 147
Symmetry code: (iii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

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: 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: WM2684 ).


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 facilities.

References

Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 11019-11026.  [CSD] [CrossRef] [ChemPort] [PubMed]
Boeckmann, J. & Näther, C. (2011). Chem. Commun. 47, 7104-7106.  [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.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Wöhlert, S., Boeckmann, J., Wriedt, M. & Näther, C. (2011). Angew. Chem. Int. Ed. 50, 6920-6923.


Acta Cryst (2012). E68, m1435  [ doi:10.1107/S1600536812044431 ]

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