catena-Poly[[aqua­bis­[2-(3-benzoyl­phen­yl)propano­ato-κ2O1,O1′]cadmium(II)]-μ-4,4′-bipyridine-κ2N:N′]

Jiang, T.; Ng, S.W.

doi:10.1107/S1600536811001280

Volume 67
Part 2
Page m209
February 2011

Received 7 January 2011
Accepted 10 January 2011
Online 15 January 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
Disorder in main residue
R = 0.032
wR = 0.083
Data-to-parameter ratio = 16.8
Details

catena-Poly[[aquabis[2-(3-benzoylphenyl)propanoato-²O¹,O^1']cadmium(II)]--4,4'-bipyridine-²N:N']

Tao Jiang ^a and Seik Weng Ng ^b ^*

^aDepartment of Food and Environmental Engineering, Heilongjiang East University, Harbin 150086, People's Republic of China, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The 4,4'-bipyridine heterocycle in the polymeric title compound, [Cd(C₁₆H₁₃O₃)₂(C₁₀H₈N₂)(H₂O)]_n, links adjacent Cd(II) ions into a chain running along the c axis. The Cd atom, which lies on a twofold rotation axis, is chelated by the carboxylate unit and exists in a seven-coordinate pentagonal-bipyramidal geometry. The apical sites are occupied by N atoms. The water molecule also lies on the twofold rotation axis. The methyl substituent of the propanoate group is disordered over two positions in a 1:1 ratio. O-HO hydrogen bonding between water molecules and adjacent carboxylate O atoms is observed.

Related literature

For the crystal structure of the parent carboxylic acid, see: Briard & Rossi (1990). For related metal carboxylates, see: Zhang et al. (2007a,b).

Experimental

Crystal data

[Cd(C₁₆H₁₃O₃)₂(C₁₀H₈N₂)(H₂O)]
M_r = 793.13
Monoclinic, C 2/c
a = 28.3242 (5) Å
b = 6.2561 (2) Å
c = 23.6171 (4) Å
= 119.539 (1)°
V = 3640.97 (15) Å³
Z = 4
Mo K radiation
= 0.65 mm^-1
T = 293 K
0.21 × 0.17 × 0.15 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.875, T_max = 0.908
25489 measured reflections
4128 independent reflections
3904 reflections with I > 2(I)
R_int = 0.023

Refinement

R[F² > 2(F²)] = 0.032
wR(F²) = 0.083
S = 1.10
4128 reflections
246 parameters
1 restraint
H-atom parameters constrained
_max = 0.86 e Å^-3
_min = -0.32 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1w-H1O2ⁱ	0.84	2.09	2.741 (3)	135
Symmetry code: (i) x, y+1, z.

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-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: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG2790 ).

Acknowledgements

We thank Heilongjiang East University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Briard, P. & Rossi, J. C. (1990). Acta Cryst. C46, 1036-1038.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.
Zhang, Z.-Y., Chen, P.-G., Deng, Z.-P., Yu, N. & Liu, B.-Y. (2007a). Acta Cryst. E63, m1900-m1901.
Zhang, Z.-Y., Yu, N., Guo, X.-X., Pu, J. & Sun, J.-P. (2007b). Acta Cryst. E63, m2883.