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Volume 68 
Part 11 
Page m1433  
November 2012  

Received 17 October 2012
Accepted 25 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.007 Å
R = 0.055
wR = 0.133
Data-to-parameter ratio = 14.2
Details
Open access

catena-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato-[kappa]O]cobalt(II)]-[mu]-1,2-bis(pyridin-4-yl)ethane-[kappa]2N:N']

aSchool of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, People's Republic of China
Correspondence e-mail: cysun@ustb.edu.cn

In the title complex, [Co(C10H7O4)2(C12H12N2)(H2O)2]n, the CoII ion is located on a crystallographic centre of symmetry and is six-coordinated by two N atoms from two 1,2-bis(4-pyridyl)ethane ligands, two carboxylate O atoms from two 1,3-dihydro-3-oxo-1-isobenzofuranacetate ligands and two terminal water ligands. The 1,2-bis(4-pyridyl)ethane ligands act as bidentate ligands, and bridge the CoII ions into infinite chains extending parallel to [010]. In these chains, there are intra-molecular O-H...O hydrogen bonding between the coordination water molecules and carboxylate groups. Inter-molecular O-H...O hydrogen bonding between the adjacent chains and [pi]...[pi] stacking interactions result in the formation of a three-dimensional supramolecular network.

Related literature

For in situ ligand reactions, see: Zhang et al. (2005[Zhang, X. M. (2005). Coord. Chem. Rev. 249, 1201-1219.]); Chen et al. (2007[Chen, X. M. & Tong, M. L. (2007). Acc. Chem. Res. 40, 162-170.]); Zhao et al. (2008[Zhao, H., Qu, Z. R., Ye, H. Y. & Xiong, R. G. (2008). Chem. Soc. Rev. 37, 84-100.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C10H7O4)2(C12H12N2)(H2O)2]

  • Mr = 661.51

  • Triclinic, [P \overline 1]

  • a = 5.4599 (12) Å

  • b = 10.374 (2) Å

  • c = 13.617 (3) Å

  • [alpha] = 93.912 (4)°

  • [beta] = 99.409 (4)°

  • [gamma] = 97.651 (4)°

  • V = 750.9 (3) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.63 mm-1

  • T = 293 K

  • 0.20 × 0.18 × 0.10 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 1997[Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.749, Tmax = 1.000

  • 4258 measured reflections

  • 3027 independent reflections

  • 2306 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.055

  • wR(F2) = 0.133

  • S = 1.05

  • 3027 reflections

  • 213 parameters

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

  • [Delta][rho]max = 0.73 e Å-3

  • [Delta][rho]min = -0.61 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5B...O2 0.90 (5) 1.72 (5) 2.603 (4) 168 (4)
O5-H5B...O1 0.90 (5) 2.57 (4) 2.981 (3) 109 (3)
O5-H5A...O1i 0.76 (4) 1.99 (4) 2.752 (3) 172 (4)
Symmetry code: (i) x-1, y, z.

Data collection: SMART (Bruker, 1997[Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1997[Bruker (1997). 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5263 ).


Acknowledgements

This work was supported by National Nature Science Foundation of China (No. 21101013) and Fundamental Research Funds for the Central Universities (No. FRF-BR-10-002 A).

References

Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, X. M. & Tong, M. L. (2007). Acc. Chem. Res. 40, 162-170.  [ISI] [CrossRef] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zhang, X. M. (2005). Coord. Chem. Rev. 249, 1201-1219.  [ISI] [CrossRef] [ChemPort]
Zhao, H., Qu, Z. R., Ye, H. Y. & Xiong, R. G. (2008). Chem. Soc. Rev. 37, 84-100.  [ISI] [CrossRef] [PubMed]


Acta Cryst (2012). E68, m1433  [ doi:10.1107/S1600536812044339 ]

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