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Volume 68 
Part 5 
Page m595  
May 2012  

Received 27 March 2012
Accepted 4 April 2012
Online 13 April 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.007 Å
R = 0.062
wR = 0.142
Data-to-parameter ratio = 15.5
Details
Open access

catena-Poly[(aquadimethanolzinc)-[mu]-furan-2,5-dicarboxylato-[kappa]3O2:O2,O2']

aSchool of Chemical Engineering, Changchun University of Technology, Changchun 130012, People's Republic of China
Correspondence e-mail: fly012345@sohu.com

In the crystal structure of the title compound, [Zn(C6H2O5)(CH3OH)2(H2O)]n, an infinite chain is formed along the b axis by linking of the Zn(OH2)(CH3OH)2 unit with one carboxylate group of the furan-2,5-dicarboxylate ligand. The ZnII ion is in a distorted octahedral environment with one weak coordination [Zn-Ocarboxylate = 2.565 (3) Å] and two methanol molecules located in axial positions. In the chain, Owater-H...O hydrogen bonds are present, while adjacent chains are linked by Omethanol-H...O hydrogen bonds into a layer parallel to (10-2).

Related literature

For applications and structures of metal-organic framework materials, see: Chui et al. (1999[Chui, S. S. Y., Lo, S. M. F., Charmant, J. P. H., Orpen, A. G. & Williams, I. D. (1999). Science, 283, 1148-1150.]); Corma et al. (2010[Corma, A., Garcia, H. & Llabrés i Xamena, F. X. (2010). Chem. Rev. 110, 4606-4655.]); Ferey (2008[Ferey, G. (2008). Chem. Soc. Rev. 37, 191-214.]); Li et al. (1999[Li, H., Eddaoudi, M., O'Keeffe, M. & Yaghi, O. M. (1999). Nature (London), 402, 276-279.], 2012a[Li, Y.-F., Gao, Y., Xu, Y., Qin, X. & Gao, W.-Y. (2012a). Acta Cryst. E68, m445.],b[Li, Y.-F., Gao, Y., Xu, Y., Qin, X.-L. & Gao, W.-Y. (2012b). Acta Cryst. E68, m500.]); Ma et al. (2009[Ma, L., Abney, C. & Lin, W. (2009). Chem. Soc. Rev. 38, 1248-1256.]); Murray et al. (2009[Murray, L. J., Dinca, M. & Long, J. R. (2009). Chem. Soc. Rev. 38, 1294-1314.]); Tranchemontagne et al. (2009[Tranchemontagne, D. J., Mendoza-Cortes, J. L., O'Keeffe, M. & Yaghi, O. M. (2009). Chem. Soc. Rev. 38, 1257-1283.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C6H2O5)(CH4O)2(H2O)]

  • Mr = 301.57

  • Monoclinic, P 21 /c

  • a = 10.077 (2) Å

  • b = 8.1235 (16) Å

  • c = 17.101 (3) Å

  • [beta] = 124.86 (3)°

  • V = 1148.7 (6) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.17 mm-1

  • T = 293 K

  • 0.10 × 0.10 × 0.10 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.813, Tmax = 0.813

  • 10467 measured reflections

  • 2605 independent reflections

  • 1593 reflections with I > 2[sigma](I)

  • Rint = 0.119

Refinement
  • R[F2 > 2[sigma](F2)] = 0.062

  • wR(F2) = 0.142

  • S = 1.01

  • 2605 reflections

  • 168 parameters

  • 5 restraints

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

  • [Delta][rho]max = 0.61 e Å-3

  • [Delta][rho]min = -0.71 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1A...O1i 0.83 (2) 1.92 (2) 2.745 (5) 171 (5)
O1W-H1B...O5ii 0.83 (2) 1.76 (2) 2.571 (5) 165 (5)
O7-H7...O4iii 0.82 (2) 1.86 (3) 2.639 (5) 158 (6)
O8-H8...O4iv 0.82 (2) 1.88 (3) 2.682 (5) 163 (6)
Symmetry codes: (i) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) -x+2, -y+2, -z+1; (iv) [x-1, -y+{\script{5\over 2}}, z-{\script{1\over 2}}].

Data collection: PROCESS-AUTO (Rigaku, 1998[Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002[Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); 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: DIAMOND (Brandenburg, 2000[Brandenburg, K. (2000). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5106 ).


Acknowledgements

This project was sponsored by the Scientific Research Foundation for the Returned Overseas Team, Chinese Education Ministry.

References

Brandenburg, K. (2000). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Chui, S. S. Y., Lo, S. M. F., Charmant, J. P. H., Orpen, A. G. & Williams, I. D. (1999). Science, 283, 1148-1150.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Corma, A., Garcia, H. & Llabrés i Xamena, F. X. (2010). Chem. Rev. 110, 4606-4655.  [ISI] [CrossRef] [ChemPort] [PubMed]
Ferey, G. (2008). Chem. Soc. Rev. 37, 191-214.  [ISI] [PubMed] [ChemPort]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, H., Eddaoudi, M., O'Keeffe, M. & Yaghi, O. M. (1999). Nature (London), 402, 276-279.  [ChemPort]
Li, Y.-F., Gao, Y., Xu, Y., Qin, X. & Gao, W.-Y. (2012a). Acta Cryst. E68, m445.  [CrossRef] [details]
Li, Y.-F., Gao, Y., Xu, Y., Qin, X.-L. & Gao, W.-Y. (2012b). Acta Cryst. E68, m500.  [CrossRef] [details]
Ma, L., Abney, C. & Lin, W. (2009). Chem. Soc. Rev. 38, 1248-1256.  [ISI] [CrossRef] [PubMed] [ChemPort]
Murray, L. J., Dinca, M. & Long, J. R. (2009). Chem. Soc. Rev. 38, 1294-1314.  [ISI] [CrossRef] [PubMed] [ChemPort]
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tranchemontagne, D. J., Mendoza-Cortes, J. L., O'Keeffe, M. & Yaghi, O. M. (2009). Chem. Soc. Rev. 38, 1257-1283.  [ISI] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2012). E68, m595  [ doi:10.1107/S1600536812014936 ]

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