catena-Poly[[[diaqua­copper(II)]-μ-2,2′-{[p-phenyl­enebis(oxymethyl­ene)]bis­(pyridinium-3,1-di­yl)}diacetate] dibromide]

Pan, W.-C.; Lian, H.-L.

doi:10.1107/S1600536810014510

Volume 66
Part 6
Page m607
June 2010

Received 15 March 2010
Accepted 20 April 2010
Online 8 May 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.012 Å
R = 0.061
wR = 0.163
Data-to-parameter ratio = 13.3
Details

catena-Poly[[[diaquacopper(II)]--2,2'-{[p-phenylenebis(oxymethylene)]bis(pyridinium-3,1-diyl)}diacetate] dibromide]

Wei-Cheng Pan ^a and Hong-Lei Lian ^b ^*

^aCollege of Chemical Engineering and Foods, Zhongzhou University, Zhengzhou, Henan 450044, People's Republic of China, and ^bCollege of Chemical Engineering, Zhengzhou University, Zhengzhou, Henan 450001, People's Republic of China
Correspondence e-mail: zzulhl@yahoo.com.cn

The title centrosymmetric coordination polymer, {[Cu(C₂₂H₂₀N₂O₆)(H₂O)₂]Br₂}_n, formed by the reaction of the flexible double betaine ligand 2,2'-{[p-phenylenebis(oxymethylene)]bis(pyridine-3,1-diyl)}diacetic acid with CuBr₂, contains a Cu(II) atom ( $[\overline1]$ symmetry) which is surrounded by two water molecules and bridged by two anions in a square-planar coordination. In the crystal, polymeric zigzag chains are linked via O-HBr interactions, forming a two-dimensional network extending parallel to (011).

Related literature

For double betaine coordination polymers, see: Zhang et al. (2004).

Experimental

Crystal data

[Cu(C₂₂H₂₀N₂O₆)(H₂O)₂]Br₂
M_r = 667.78
Triclinic, $[P \overline 1]$
a = 7.5422 (7) Å
b = 9.3001 (8) Å
c = 9.9890 (9) Å
= 64.194 (2)°
= 79.405 (2)°
= 77.000 (2)°
V = 611.66 (10) Å³
Z = 1
Mo K radiation
= 4.21 mm^-1
T = 293 K
0.52 × 0.30 × 0.30 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.218, T_max = 0.365
3313 measured reflections
2129 independent reflections
1746 reflections with I > 2(I)
R_int = 0.087

Refinement

R[F² > 2(F²)] = 0.061
wR(F²) = 0.163
S = 1.03
2129 reflections
160 parameters
3 restraints
H-atom parameters constrained
_max = 0.82 e Å^-3
_min = -0.95 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WBBr1	0.52	2.74	3.220 (9)	155
O1W-H1WABr1ⁱ	0.78	2.38	3.139 (9)	167
Symmetry code: (i) -x, -y+1, -z+1.

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2168 ).

Acknowledgements

Financial support from Zhongzhou University is greatly appreciated.

References

Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhang, L.-P., Lam, C.-K., Song, H.-B. & Mak, T. C. W. (2004). Polyhedron, 23, 2413-2425.

metal-organic compounds