catena-Poly[[[aqua­(2,2′-bipyridine-κ2N,N′)zinc]-μ-furan-2,5-dicarboxyl­ato-κ2O2:O5] dihydrate]

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

doi:10.1107/S1600536812045503

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 (C-C) = 0.004 Å
R = 0.036
wR = 0.102
Data-to-parameter ratio = 15.0
Details

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

Ya-Feng Li,^a ^* Yue Xu,^a Xiao-Lin Qin,^a Yong-Peng Yuan ^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 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 Zn^II atom, the dihedral angle between the furan ring of its coordinated bridging ligand and its coordinated bipyridine ring system is 87.19 (8)°. O-HO 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).

Experimental

Crystal data

[Zn(C₆H₂O₅)(C₁₀H₈N₂)(H₂O)]·2H₂O
M_r = 429.70
Triclinic, $[P \overline 1]$
a = 8.5815 (17) Å
b = 9.2928 (19) Å
c = 12.753 (3) Å
= 69.99 (3)°
= 87.63 (3)°
= 65.85 (3)°
V = 866.2 (3) Å³
Z = 2
Mo K radiation
= 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) T_min = 0.57, T_max = 0.73
8557 measured reflections
3925 independent reflections
3433 reflections with I > 2(I)
R_int = 0.023

Refinement

R[F² > 2(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
_max = 0.67 e Å^-3
_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-HA	D-H	HA	DA	D-HA
O1W-H1AO5ⁱⁱ	0.87 (2)	1.89 (2)	2.724 (2)	159 (2)
O1W-H1BO1ⁱⁱⁱ	0.86 (2)	1.88 (2)	2.701 (3)	158 (2)
O2W-H2AO2	0.89 (2)	1.91 (3)	2.731 (4)	152 (5)
O2W-H2BO5^iv	0.89 (2)	2.12 (3)	2.902 (4)	146 (5)
O3W-H3AO4	0.88 (2)	2.27 (3)	3.050 (4)	148 (4)
O3W-H3BO2W	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); cell refinement: PROCESS-AUTO; data reduction: Crystal Structure (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: 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.
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.

metal-organic compounds

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