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Volume 64 
Part 10 
Page m1231  
October 2008  

Received 4 August 2008
Accepted 13 August 2008
Online 6 September 2008

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.041
wR = 0.095
Data-to-parameter ratio = 14.7
Details
Open access

Diaquabis(4-bromo-2-formylphenolato-[kappa]2O,O')cobalt(II)

Yu Xiaoa* and Min Zhanga

aThe Guangxi Key Laboratory of Environmental Engineering, Protection and Assessment (Department of Resources and Environmental Engineering, Guilin University of Technology), Guilin 541004, People's Republic of China
Correspondence e-mail: xiaoyuzsh@yahoo.com.cn

In the title complex, [Co(C7H4BrO2)2(H2O)2], the CoII ion, which lies on a crystallographic inversion center, is coordinated by four O atoms from two bidentate 4-bromo-2-formylphenolate ligands and two O atoms from two water ligands in a slightly distorted octahedral environment. In the crystal structure, one-dimensional chains are formed through intermolecular O-H...O hydrogen bonds, which are further linked into a two-dimensional network through Br...Br interactions [Br...Br = 3.772 (4) Å].

Related literature

For related literature, see: Cohen et al. (1964[Cohen, M. D., Schmidt, G. M. J. & Sonntag, F. I. (1964). J. Chem. Soc. pp. 2000-2013.]); Desiraju (1989[Desiraju, G. R. (1989). Crystal Engineering: The Design of Organic Solids. Amsterdam: Elsevier.]); Mathews & Manohar (1991[Mathews, I. I. & Manohar, H. (1991). Acta Cryst. C47, 1621-1624.]); Willey et al. (1994[Willey, G. R., Palin, J., Lakin, M. T. & Alcock, N. W. (1994). Transition Met. Chem. 19, 187-190.]); Zaman et al. (2004[Zaman, B., Udachin, K. A. & Ripmeester, J. A. (2004). Cryst. Growth Des. 4, 585-589.]); Zhang et al. (2007[Zhang, S.-H., Li, G.-Z., Feng, X.-Z. & Liu, Z. (2007). Acta Cryst. E63, m1319-m1320.]); Zordan et al. (2005[Zordan, F., Brammer, L. & Sherwood, P. (2005). J. Am. Chem. Soc. 127, 5979-5989.]); Chen et al. (2008[Chen, F.-Y., Zhang, S.-H. & Ge, C.-M. (2008). Acta Cryst. E64, m1068.]).

[Scheme 1]

Experimental

Crystal data

  • [Co(C7H4BrO2)2(H2O)2]

  • Mr = 494.99

  • Monoclinic, C 2/c

  • a = 29.527 (5) Å

  • b = 4.7406 (8) Å

  • c = 11.6314 (18) Å

  • [beta] = 103.162 (3)°

  • V = 1585.3 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 6.15 mm-1

  • T = 293 (2) K

  • 0.21 × 0.19 × 0.19 mm
Data collection

  • Bruker SMART-CCD diffractometer

  • Absorption correction: none

  • 3884 measured reflections

  • 1553 independent reflections

  • 1290 reflections with I > 2[sigma](I)

  • Rint = 0.033
Refinement

  • R[F2 > 2[sigma](F2)] = 0.040

  • wR(F2) = 0.095

  • S = 1.04

  • 1553 reflections

  • 106 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.55 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Selected geometric parameters (Å, °)

Co1-O2 2.013 (2)
Co1-O1 2.099 (2)
Co1-O3 2.149 (3)
O2i-Co1-O2 180
O2-Co1-O1 87.86 (10)
O2-Co1-O1i 92.14 (10)
O1-Co1-O1i 180
O2-Co1-O3i 90.20 (10)
O1-Co1-O3i 86.83 (10)
O2-Co1-O3 89.80 (10)
O1-Co1-O3 93.17 (10)
O3i-Co1-O3 180
Symmetry code: (i) -x, -y, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3...O1ii 0.85 2.12 2.842 (4) 142
O3-H3B...O2iii 0.85 1.93 2.725 (4) 155
Symmetry codes: (ii) -x, -y-1, -z+1; (iii) x, y-1, z.

Data collection: SMART (Bruker, 2004[Bruker (2004). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). SMART 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: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and ORTEPIII (Burnett & Johnson, 1996[Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH2677 ).

Acknowledgements

We acknowledge financial support by the Guangxi Key Laboratory of Environmental Engineering, Protection and Assessment, Guangxi, People's Republic of China.

References

Bruker (2004). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.
Chen, F.-Y., Zhang, S.-H. & Ge, C.-M. (2008). Acta Cryst. E64, m1068.  [CrossRef] [details]
Cohen, M. D., Schmidt, G. M. J. & Sonntag, F. I. (1964). J. Chem. Soc. pp. 2000-2013.  [CrossRef]
Desiraju, G. R. (1989). Crystal Engineering: The Design of Organic Solids. Amsterdam: Elsevier.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Mathews, I. I. & Manohar, H. (1991). Acta Cryst. C47, 1621-1624.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Willey, G. R., Palin, J., Lakin, M. T. & Alcock, N. W. (1994). Transition Met. Chem. 19, 187-190.  [CrossRef] [ChemPort]
Zaman, B., Udachin, K. A. & Ripmeester, J. A. (2004). Cryst. Growth Des. 4, 585-589.  [CrossRef] [ChemPort]
Zhang, S.-H., Li, G.-Z., Feng, X.-Z. & Liu, Z. (2007). Acta Cryst. E63, m1319-m1320.  [CSD] [CrossRef] [details]
Zordan, F., Brammer, L. & Sherwood, P. (2005). J. Am. Chem. Soc. 127, 5979-5989.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]

Acta Cryst (2008). E64, m1231  [ doi:10.1107/S1600536808026068 ]

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