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Volume 69 
Part 2 
Pages m103-m104  
February 2013  

Received 19 December 2012
Accepted 7 January 2013
Online 12 January 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.031
wR = 0.080
Data-to-parameter ratio = 10.4
Details
Open access

Hexaaquacobalt(II) 2,2'-[naphthalene-1,8-diylbis(oxy)]diacetate dihydrate

aDepartment of Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030, People's Republic of China
Correspondence e-mail: shishipiaoliang@126.com

In the title compound, [Co(H2O)6](C14H10O6)·2H2O, the 2,2'-[naphthalene-1,8-diylbis(oxy)]diacetate dianion L is not coordinated to the CoII ion. The asymmetric unit contains half of the L dianion, half of a [Co(H2O)6]2+ cation (both molecules being completed by inversion symmetry), and one water molecule. The crystal packing features O-H...O hydrogen bonding between the carboxylate groups, the aqua ligands and the hydrate water molecules.

Related literature

In recent years, metal complexes have been synthezised with potential applications in molecular sorption, electrical conductivity, catalysis, magnetism, non-linear optics and molecular sensing, see: James (2003[James, S. L. (2003). Chem. Soc. Rev. 32, 276-288.]); Murray et al. (2009[Murray, L. J., Dinca, M. & Long, J. R. (2009). Chem. Soc. Rev. 38, 1294-1314.]); Karmakar et al. (2009[Karmakar, A., Baruah, J. B. & Shankar, B. (2009). CrystEngComm, 11, 832-840.]); Kurmoo (2009[Kurmoo, M. (2009). Chem. Soc. Rev. 38, 1353-1379.]); Bradshaw et al. (2005[Bradshaw, D., Claridge, J. B., Cussen, E. J., Prior, T. J. & Rosseinsky, M. J. (2005). Acc. Chem. Res. 38, 273-282.]). The 5-carboxymethoxy-naphtalene1-yl(oxy)-acetate ligand can provide a dominant packing feature and it often controls the supramolecular assembly, see: Desiraju (2007[Desiraju, G. R. (2007). Angew. Chem. Int. Ed. 46, 8342-8356.]). For Cd complexes with different co-ligands, see: Deka et al. (2011[Deka, H., Sarma, R., Kumari, S., Khare, A. & Baruah, J. B. (2011). J. Solid State Chem. 184, 1726-1734.]); Li et al. (2012[Li, L., Song, Y. L., Hou, H. W., Liu, Z. S., Yuan, G. & Su, Z. M. (2012). Inorg. Chem. Commun. 15, 289-291.]) and for Zn complexes, see: Mondal et al. (2008[Mondal, P., Karmakar, A. J., Singh, M. W. & Baruah, J. B. (2008). CrystEngComm, 10, 1159-1550.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(H2O)6](C14H10O6)·2H2O

  • Mr = 477.28

  • Triclinic, [P \overline 1]

  • a = 6.377 (2) Å

  • b = 6.642 (2) Å

  • c = 12.979 (5) Å

  • [alpha] = 79.669 (10)°

  • [beta] = 79.963 (11)°

  • [gamma] = 64.911 (8)°

  • V = 486.8 (3) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.95 mm-1

  • T = 293 K

  • 0.30 × 0.28 × 0.25 mm

Data collection
  • Siemens CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2007[Sheldrick, G. M. (2007). SADABS. University of Göttingen, Germany.]) Tmin = 0.731, Tmax = 1.000

  • 3126 measured reflections

  • 1678 independent reflections

  • 1605 reflections with I > 2[sigma](I)

  • Rint = 0.018

Refinement
  • R[F2 > 2[sigma](F2)] = 0.031

  • wR(F2) = 0.080

  • S = 1.09

  • 1678 reflections

  • 161 parameters

  • 12 restraints

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

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.48 e Å-3

Table 1
Selected bond lengths (Å)

Co1-O4 2.056 (2)
Co1-O5 2.0792 (17)
Co1-O6 2.093 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O6-H6C...O7i 0.96 (2) 1.76 (3) 2.723 (3) 174 (3)
O6-H6D...O7ii 0.93 (2) 1.83 (3) 2.751 (3) 171 (3)
O5-H5A...O2iii 0.93 (3) 1.96 (3) 2.850 (3) 159 (2)
O5-H5B...O3iv 0.94 (3) 1.87 (2) 2.783 (3) 165 (2)
O7-H7A...O3v 0.92 (2) 1.82 (3) 2.736 (3) 171 (3)
O7-H7B...O2vi 0.93 (3) 1.89 (3) 2.780 (3) 158 (2)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) x, y-1, z-1; (iii) x-1, y, z; (iv) x-1, y-1, z; (v) -x+2, -y+2, -z+1; (vi) -x+1, -y+2, -z+1.

Data collection: SMART (Siemens, 1996[Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Siemens, 1996[Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments 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: VM2185 ).


Acknowledgements

This work was supported by the Fundamental Research Funds for the Central Universities (No. CQDXWL-2012-024).

References

Bradshaw, D., Claridge, J. B., Cussen, E. J., Prior, T. J. & Rosseinsky, M. J. (2005). Acc. Chem. Res. 38, 273-282.  [ISI] [CrossRef] [PubMed] [ChemPort]
Deka, H., Sarma, R., Kumari, S., Khare, A. & Baruah, J. B. (2011). J. Solid State Chem. 184, 1726-1734.  [ISI] [CSD] [CrossRef] [ChemPort]
Desiraju, G. R. (2007). Angew. Chem. Int. Ed. 46, 8342-8356.  [ISI] [CrossRef] [ChemPort]
James, S. L. (2003). Chem. Soc. Rev. 32, 276-288.  [ISI] [CrossRef] [PubMed] [ChemPort]
Karmakar, A., Baruah, J. B. & Shankar, B. (2009). CrystEngComm, 11, 832-840.  [ISI] [CSD] [CrossRef] [ChemPort]
Kurmoo, M. (2009). Chem. Soc. Rev. 38, 1353-1379.  [ISI] [CrossRef] [PubMed] [ChemPort]
Li, L., Song, Y. L., Hou, H. W., Liu, Z. S., Yuan, G. & Su, Z. M. (2012). Inorg. Chem. Commun. 15, 289-291.
Mondal, P., Karmakar, A. J., Singh, M. W. & Baruah, J. B. (2008). CrystEngComm, 10, 1159-1550.
Murray, L. J., Dinca, M. & Long, J. R. (2009). Chem. Soc. Rev. 38, 1294-1314.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2007). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.


Acta Cryst (2013). E69, m103-m104   [ doi:10.1107/S1600536813000512 ]

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