Poly[diaqua­bis(μ2-5-carb­oxy-2-propyl-1H-imidazole-4-carboxyl­ato-κ3N3,O4:O5)lead(II)]

Chen, X.; Liu, H.-C.

doi:10.1107/S1600536810013735

Volume 66
Part 5
Page m543
May 2010

Received 12 April 2010
Accepted 14 April 2010
Online 21 April 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.019
wR = 0.039
Data-to-parameter ratio = 12.2
Details

Poly[diaquabis(₂-5-carboxy-2-propyl-1H-imidazole-4-carboxylato-³N³,O⁴:O⁵)lead(II)]

Xiang Chen ^a ^* and Hai-Cheng Liu ^b

^aDepartment of Chemistry and Chemical Engineering, Henan University of Urban Construction, Pingdingshan 467044, People's Republic of China, and ^bDepartment of Environmental and Municipal Engineering, Henan University of Urban Construction, Pingdingshan 467044, People's Republic of China
Correspondence e-mail: chenxiangdl2008@163.com

In the title complex, [Pb(C₈H₉N₂O₄)₂(H₂O)₂]_n, the eight-coordinate Pb^II atom lies on a twofold rotation axis and adopts a slightly distorted square-antiprismatic N₂O₆ coordination geometry. The ligand donor atoms are the tertiary N atoms of the imidazole rings and the carboxylate O atoms of two chelating 5-carboxy-2-propyl-1H-imidazole-4-carboxylate ligands, the carboxy O atoms of two additional imidazole ligands and two water O atoms. The carboxy O and the N,O-chelate systems also link adjacent Pb^II atoms, forming a two-dimensional layer structure, with four individual Pb^II atoms located at the corners of a square. These layers are further interconnected by an extensive array of O-HO and N-HO hydrogen bonds into a three-dimensional network.

Related literature

For the properties and uses of imidazoledicarboxylate complexes, see: Cao et al. (2002); Rajendiran et al. (2003).

Experimental

Crystal data

[Pb(C₈H₉N₂O₄)₂(H₂O)₂]
M_r = 637.57
Monoclinic, C 2/c
a = 13.1201 (15) Å
b = 13.2929 (16) Å
c = 11.5910 (13) Å
= 98.531 (2)°
V = 1999.2 (4) Å³
Z = 4
Mo K radiation
= 8.50 mm^-1
T = 293 K
0.45 × 0.17 × 0.13 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2007) T_min = 0.114, T_max = 0.404
4884 measured reflections
1751 independent reflections
1640 reflections with I > 2(I)
R_int = 0.048

Refinement

R[F² > 2(F²)] = 0.019
wR(F²) = 0.039
S = 1.02
1751 reflections
143 parameters
H-atom parameters constrained
_max = 0.82 e Å^-3
_min = -0.69 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5DO4ⁱ	0.85	2.58	3.182 (4)	129
O5-H5DO3ⁱ	0.85	2.16	3.004 (3)	176
O5-H5CO1ⁱⁱ	0.85	2.19	3.035 (3)	176
O3-H3O2	0.82	1.64	2.459 (3)	178
N2-H2O1ⁱⁱⁱ	0.86	2.05	2.909 (4)	172
Symmetry codes: (i) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (ii) $[x, -y+1, z-{\script{1\over 2}}]$ ; (iii) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

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) and DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ2771 ).

Acknowledgements

The authors acknowledge Henan University of Urban Construction for supporting this work.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cao, R., Sun, D.-F., Liang, Y.-C., Hong, M.-C., Tatsumi, K. & Shi, Q. (2002). Inorg. Chem. 41, 2087-2094.
Rajendiran, T. M., Kirk, M. L., Setyawati, I. A., Caudle, M. T., Kampf, J. W. & Pecoraro, V. L. (2003). Chem. Commun. 7, 824-825.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Poly[diaquabis(2-5-carboxy-2-propyl-1H-imidazole-4-carboxylato-3N3,O4:O5)lead(II)]