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Volume 69 
Part 4 
Page m210  
April 2013  

Received 6 March 2013
Accepted 10 March 2013
Online 16 March 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.004 Å
R = 0.039
wR = 0.082
Data-to-parameter ratio = 13.6
Details
Open access

Aquabis(4-chlorobenzoato)-[kappa]2O,O';[kappa]O-bis(pyridine-[kappa]N)cobalt(II)

aKey Laboratory of Eco-Environment-Related Polymer Materials, Ministry of Education of China, Key Laboratory of Polymer Materials of Gansu Province, College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, People's Republic of China
Correspondence e-mail: subt0608@nwnu.edu.cn

In the title compound, [Co(C7H4ClO2)2(C5H5N)2(H2O)], the CoII atom is six-coordinated by three O atoms from a bidentate and a monodentate 4-chlorobenzoate ligand, two N atoms from two pyridine ligands and a water O atom, giving a distorted octahedral geometry. In the crystal, the complex molecules are connected by O-H...O hydrogen bonds and [pi]-[pi] interactions between the benzene rings [centroid-centroid distance = 3.8924 (17) Å] into a chain along [010]. Between adjacent chains, [pi]-[pi] interactions occur between the pyridine rings [centroid-centroid distance = 3.898 (2) Å], giving an overall two-dimensional architecture.

Related literature

For structures and applications of related compounds, see: Macgillivray et al. (1998[Macgillivray, L. R., Groeneman, R. H. & Atwood, J. L. (1998). J. Am. Chem. Soc. 120, 2676-2677.]); Masaoka et al. (2001[Masaoka, S., Furukawa, S., Chang, H. C., Mizutani, T. & Kitagawa, S. (2001). Angew. Chem. Int. Ed. 40, 3817-3819.]); Qiu et al. (2008[Qiu, X.-Y., Liu, W.-S. & Zhu, H.-L. (2008). Anal. Sci. 24, x7-x8.]); Wang & Sun (2012[Wang, X.-H. & Sun, L.-M. (2012). Acta Cryst. E68, m16.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C7H4ClO2)2(C5H5N)2(H2O)]

  • Mr = 546.25

  • Monoclinic, P 21 /c

  • a = 15.1157 (8) Å

  • b = 5.8696 (3) Å

  • c = 28.5419 (9) Å

  • [beta] = 109.682 (3)°

  • V = 2384.4 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.98 mm-1

  • T = 298 K

  • 0.40 × 0.30 × 0.20 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.695, Tmax = 0.828

  • 15626 measured reflections

  • 4175 independent reflections

  • 3590 reflections with I > 2[sigma](I)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.082

  • S = 1.10

  • 4175 reflections

  • 307 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.48 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-H1W...O4i 0.84 1.81 2.648 (3) 178
O5-H2W...O2i 0.81 1.99 2.737 (3) 154
Symmetry code: (i) x, y+1, z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. 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: HY2620 ).


Acknowledgements

This work was supported by the Natural Science Foundation of China (No. 21174114), the Plan for the Yangtze River Scholar and Innovation Team Development of the Ministry of Education (No. IRT1177), the Scientific and Technical Plan Project of Gansu Province (No. 1204 GKCA006), the Natural Science Foundation of Gansu Province (No. 1010RJZA024) and the Scientific and Technical Innovation Project of Northwest Normal University (nwnu-kjcxgc-03-63).

References

Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Macgillivray, L. R., Groeneman, R. H. & Atwood, J. L. (1998). J. Am. Chem. Soc. 120, 2676-2677.  [ISI] [CrossRef] [ChemPort]
Masaoka, S., Furukawa, S., Chang, H. C., Mizutani, T. & Kitagawa, S. (2001). Angew. Chem. Int. Ed. 40, 3817-3819.  [CrossRef] [ChemPort]
Qiu, X.-Y., Liu, W.-S. & Zhu, H.-L. (2008). Anal. Sci. 24, x7-x8.  [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, X.-H. & Sun, L.-M. (2012). Acta Cryst. E68, m16.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m210  [ doi:10.1107/S1600536813006752 ]

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