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Volume 68 
Part 12 
Page m1466  
December 2012  

Received 31 October 2012
Accepted 3 November 2012
Online 10 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.036
wR = 0.102
Data-to-parameter ratio = 15.0
Details
Open access

catena-Poly[[[aqua(2,2'-bipyridine-[kappa]2N,N')zinc]-[mu]-furan-2,5-dicarboxylato-[kappa]2O2:O5] dihydrate]

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

In the title hydrated coordination polymer, {[Zn(C6H2O5)(C10H8N2)(H2O)]·2H2O}n, an infinite [1-10] chain is formed by the linking of [Zn(C10H8N2)(H2O)]2+ entities by bridging, monodentate furan-2,5-dicarboxylate dianionic linkers. The Zn2+ coordination geometry is a trigonal bipyramid, with one N atom (from 2,2'-bipyridine) and one O atom (from the bridging dianion) in the axial positions. For each ZnII atom, the dihedral angle between the furan ring of its coordinated bridging ligand and its coordinated bipyridine ring system is 87.19 (8)°. O-H...O hydrogen bonds involving both the coordinated and uncoordinated water molecules generate a layer motif parallel to (001).

Related literature

For a related structure, see: Li, et al. (2012[Li, Y.-F., Xu, Y., Qin, X.-L., Gao, W.-Y. & Gao, Y. (2012). Acta Cryst. E68, m659.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C6H2O5)(C10H8N2)(H2O)]·2H2O

  • Mr = 429.70

  • Triclinic, [P \overline 1]

  • a = 8.5815 (17) Å

  • b = 9.2928 (19) Å

  • c = 12.753 (3) Å

  • [alpha] = 69.99 (3)°

  • [beta] = 87.63 (3)°

  • [gamma] = 65.85 (3)°

  • V = 866.2 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.47 mm-1

  • T = 293 K

  • 0.43 × 0.34 × 0.23 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.57, Tmax = 0.73

  • 8557 measured reflections

  • 3925 independent reflections

  • 3433 reflections with I > 2[sigma](I)

  • Rint = 0.023

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.102

  • S = 1.10

  • 3925 reflections

  • 262 parameters

  • 9 restraints

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

  • [Delta][rho]max = 0.67 e Å-3

  • [Delta][rho]min = -0.59 e Å-3

Table 1
Selected bond lengths (Å)

Zn1-O4i 2.0180 (17)
Zn1-O1 2.0221 (17)
Zn1-N2 2.078 (2)
Zn1-O1W 2.1142 (17)
Zn1-N1 2.1298 (19)
Symmetry code: (i) x+1, y-1, z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1A...O5ii 0.87 (2) 1.89 (2) 2.724 (2) 159 (2)
O1W-H1B...O1iii 0.86 (2) 1.88 (2) 2.701 (3) 158 (2)
O2W-H2A...O2 0.89 (2) 1.91 (3) 2.731 (4) 152 (5)
O2W-H2B...O5iv 0.89 (2) 2.12 (3) 2.902 (4) 146 (5)
O3W-H3A...O4 0.88 (2) 2.27 (3) 3.050 (4) 148 (4)
O3W-H3B...O2W 0.87 (2) 2.15 (3) 2.943 (7) 152 (5)
Symmetry codes: (ii) -x+1, -y+1, -z+1; (iii) -x+2, -y, -z+1; (iv) x+1, y, z.

Data collection: PROCESS-AUTO (Rigaku, 1998[Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: Crystal Structure (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: HB6980 ).


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.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, Y.-F., Xu, Y., Qin, X.-L., Gao, W.-Y. & Gao, Y. (2012). Acta Cryst. E68, m659.  [CSD] [CrossRef] [details]
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]


Acta Cryst (2012). E68, m1466  [ doi:10.1107/S1600536812045503 ]

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