catena-Poly[(aqua­dimethano­lzinc)-μ-furan-2,5-dicarboxyl­ato-κ3O2:O2,O2′]

Li, Y.-F.; Gao, Y.; Xu, Y.; Qin, X.-L.; Gao, W.-Y.

doi:10.1107/S1600536812014936

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 (C-C) = 0.007 Å
R = 0.062
wR = 0.142
Data-to-parameter ratio = 15.5
Details

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

Ya-Feng Li,^a ^* Yue Gao,^a Yue Xu,^a Xiao-Lin Qin ^a and Wen-Yuan Gao ^a

^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 Zn^II ion is in a distorted octahedral environment with one weak coordination [Zn-O_carboxylate = 2.565 (3) Å] and two methanol molecules located in axial positions. In the chain, O_water-HO hydrogen bonds are present, while adjacent chains are linked by O_methanol-HO 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); Corma et al. (2010); Ferey (2008); Li et al. (1999, 2012a,b); Ma et al. (2009); Murray et al. (2009); Tranchemontagne et al. (2009).

Experimental

Crystal data

[Zn(C₆H₂O₅)(CH₄O)₂(H₂O)]
M_r = 301.57
Monoclinic, P 2₁ /c
a = 10.077 (2) Å
b = 8.1235 (16) Å
c = 17.101 (3) Å
= 124.86 (3)°
V = 1148.7 (6) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.813, T_max = 0.813
10467 measured reflections
2605 independent reflections
1593 reflections with I > 2(I)
R_int = 0.119

Refinement

R[F² > 2(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
_max = 0.61 e Å^-3
_min = -0.71 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1AO1ⁱ	0.83 (2)	1.92 (2)	2.745 (5)	171 (5)
O1W-H1BO5ⁱⁱ	0.83 (2)	1.76 (2)	2.571 (5)	165 (5)
O7-H7O4ⁱⁱⁱ	0.82 (2)	1.86 (3)	2.639 (5)	158 (6)
O8-H8O4^iv	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); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2000); 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.
Corma, A., Garcia, H. & Llabrés i Xamena, F. X. (2010). Chem. Rev. 110, 4606-4655.
Ferey, G. (2008). Chem. Soc. Rev. 37, 191-214.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, H., Eddaoudi, M., O'Keeffe, M. & Yaghi, O. M. (1999). Nature (London), 402, 276-279.
Li, Y.-F., Gao, Y., Xu, Y., Qin, X. & Gao, W.-Y. (2012a). Acta Cryst. E68, m445.
Li, Y.-F., Gao, Y., Xu, Y., Qin, X.-L. & Gao, W.-Y. (2012b). Acta Cryst. E68, m500.
Ma, L., Abney, C. & Lin, W. (2009). Chem. Soc. Rev. 38, 1248-1256.
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Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
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Tranchemontagne, D. J., Mendoza-Cortes, J. L., O'Keeffe, M. & Yaghi, O. M. (2009). Chem. Soc. Rev. 38, 1257-1283.

metal-organic compounds

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