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Volume 69 
Part 5 
Page m252  
May 2013  

Received 23 March 2013
Accepted 2 April 2013
Online 10 April 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.002 Å
R = 0.030
wR = 0.091
Data-to-parameter ratio = 11.9
Details
Open access

catena-Poly[[[diaquacobalt(II)]-bis{[mu]-2-[3-(4-carboxylatophenyl)pyridin-1-ium-1-yl]acetato}] dihydrate]

aCollege of Chemistry and Materials Science, Huaibei Normal University, 100 Dongshan Road, Huaibei, Anhui 235000, People's Republic of China
Correspondence e-mail: zhangxiumeilb@126.com

In the title polymeric coordination compound, {[Co(C14H10NO4)2(H2O)2]·2H2O}n, the CoII ion resides on an inversion center and exhibits a distorted octahedral coordination geometry defined by four O atoms from two pairs of equivalent monodentate carboxylate groups from 2-[3-(4-carboxylatophenyl)pyridin-1-ium-1-yl]acetate ligands and by two O atoms from two equivalent coordinating water molecules. The zwitterionic dicarboxylate ligands serve as bridges with two monodentate carboxylate and the metal ions are linked by double bridges, forming polymeric chains running along [01-1]. The chains are further stabilized and associated into layers parallel to (011) through intra- and interchain hydrogen bonding and [pi]-[pi] stacking interactions [interplanar and centroid-centroid distances of 3.658 (3) Å and 3.653 (2) Å, respectively].

Related literature

For general background to zwitterionic ligands that contain more carboxylate groups than positive groups and hence have reduced negative charge, see: Zhang et al. (2010[Zhang, X.-M., Wang, Y.-Q. & Gao, E.-Q. (2010). Eur. J. Inorg. Chem. pp. 1249-1254.]); Wang et al. (2009[Wang, Y.-Q., Wang, K., Sun, Q., Tian, H., Gao, E.-Q. & Song, Y. (2009). Dalton Trans. pp. 9854-9859.]). For the synthesis of the ligand, see: Loeb et al. (2006[Loeb, S. J., Tiburcio, J., Vella, S. J. & Wisner, J. A. (2006). Org. Biomol. Chem. 4, 667-671.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C14H10NO4)2(H2O)2]·2H2O

  • Mr = 643.45

  • Triclinic, [P \overline 1]

  • a = 7.5943 (3) Å

  • b = 7.9123 (3) Å

  • c = 10.7673 (4) Å

  • [alpha] = 88.769 (1)°

  • [beta] = 81.681 (1)°

  • [gamma] = 83.920 (1)°

  • V = 636.57 (4) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.75 mm-1

  • T = 296 K

  • 0.10 × 0.08 × 0.06 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.929, Tmax = 0.956

  • 7933 measured reflections

  • 2477 independent reflections

  • 2449 reflections with I > 2[sigma](I)

  • Rint = 0.015

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.091

  • S = 1.05

  • 2477 reflections

  • 208 parameters

  • 3 restraints

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

  • [Delta][rho]max = 0.42 e Å-3

  • [Delta][rho]min = -0.43 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5C...O2i 0.95 (3) 1.91 (3) 2.835 (2) 164 (3)
O5-H5B...O3ii 0.85 (3) 1.80 (3) 2.617 (2) 162 (3)
O6-H6A...O4iii 0.93 (2) 2.13 (2) 3.003 (2) 156 (3)
O6-H6B...O5iv 0.92 (2) 1.96 (2) 2.880 (2) 173 (4)
Symmetry codes: (i) -x+1, -y, -z+2; (ii) -x+1, -y+1, -z+1; (iii) -x+1, -y+1, -z; (iv) x, y+1, z-1.

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART and SAINT. 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.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2502 ).


Acknowledgements

We are thankful for financial support from the NSFC (21201069) and the Natural Science Foundation of Anhui Province (1308085QB23).

References

Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2008). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Loeb, S. J., Tiburcio, J., Vella, S. J. & Wisner, J. A. (2006). Org. Biomol. Chem. 4, 667-671.  [CSD] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Wang, Y.-Q., Wang, K., Sun, Q., Tian, H., Gao, E.-Q. & Song, Y. (2009). Dalton Trans. pp. 9854-9859.  [CSD] [CrossRef]
Zhang, X.-M., Wang, Y.-Q. & Gao, E.-Q. (2010). Eur. J. Inorg. Chem. pp. 1249-1254.  [ISI] [CrossRef]


Acta Cryst (2013). E69, m252  [ doi:10.1107/S1600536813008933 ]

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