catena-Poly[iron(II)-bis­{μ-5-carb­oxy-2-[(1H-1,2,4-triazol-1-yl)meth­yl]-1H-imidazole-4-carboxyl­ato}]

Tong, Y.; Wang, H.-J.

doi:10.1107/S1600536811036026

Volume 67
Part 10
Pages m1462-m1463
October 2011

Received 4 July 2011
Accepted 4 September 2011
Online 30 September 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R = 0.027
wR = 0.073
Data-to-parameter ratio = 11.9
Details

catena-Poly[iron(II)-bis{-5-carboxy-2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-imidazole-4-carboxylato}]

Yan Tong ^a ^* and Hui-Jie Wang ^b

^aDepartment of Quality Examination and Management, Zhengzhou College of Animal Husbandry Engineering, Zhengzhou, Henan, 450011, People's Republic of China, and ^bDepartment of Biological Engineering, Zhengzhou College of Animal Husbandry Engineering, Zhengzhou, Henan, 450011, People's Republic of China
Correspondence e-mail: tongyan4200@163.com

In the title coordination polymer, [Fe(C₈H₆N₅O₄)₂]_n {or [FeL₂]_n,where HL = 2-[(1H-1,2,4-triazol-1-yl) methyl]-1H-imidazole-4,5-dicarboxylic acid)}, the Fe^II ion, located on an inversion centre, is six-coordinated by two O atoms and four N atoms from two L^- ligands in a distorted octahedral geometry [Fe-O = 2.1452 (13), Fe-N = 2.1316 (14) and 2.2484 (15) Å]. There is an intramolecular O-HO hydrogen bond in each L^- ligand. Being an effective tridentate bridging ligand, the deprotonated L^- anions link two Fe^II atoms, yielding a chain-like polymer propagating along [100]. In the crystal, these polymer chains are linked via N-HN hydrogen bonds, forming a two-dimensional network.

Related literature

For the design and self-assembly of metal-organic coordination polymers (MOCP's), see: Batten & Robson (1998); Eddaoudi et al. (2001). For related structures, see: Wang et al. (2008); Meng et al. (2009); Zhang, Li et al. (2010); Zhang, Ma et al. (2010); Feng et al. 2010); Li et al. (2010); Chen et al. (2010); Jing et al. (2010).

Experimental

Crystal data

[Fe(C₈H₆N₅O₄)₂]
M_r = 528.21
Monoclinic, P 2₁ /c
a = 7.1790 (14) Å
b = 13.490 (3) Å
c = 10.129 (2) Å
= 99.11 (3)°
V = 968.6 (3) Å³
Z = 2
Mo K radiation
= 0.85 mm^-1
T = 293 K
0.30 × 0.15 × 0.10 mm

Data collection

Rigaku Mercury CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2000) T_min = 0.784, T_max = 0.919
10179 measured reflections
1900 independent reflections
1847 reflections with I > 2(I)
R_int = 0.020

Refinement

R[F² > 2(F²)] = 0.027
wR(F²) = 0.073
S = 1.08
1900 reflections
160 parameters
H-atom parameters constrained
_max = 0.25 e Å^-3
_min = -0.25 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3AO2	0.82	1.70	2.5175 (19)	179
N5-H5AN2ⁱ	0.86	2.01	2.850 (2)	166
Symmetry code: (i) $[x, -y-{\script{1\over 2}}, z-{\script{1\over 2}}]$ .

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; 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: SU2292 ).

Acknowledgements

This work was sponsored by the Natural Science Foundation of Henan Province (No. 200510469005) and the start-up fund for scientific research of Zhengzhou College of Animal Husbandry Engineering.

References

Batten, S. R. & Robson, R. (1998). Chem. Commun. pp. 1067-1068.
Chen, L. Z., Huang, Y., Xiong, R. G. & Hu, H. W. (2010). J. Mol. Struct. 963, 16-21.
Eddaoudi, M., Moler, D. B., Li, H. L., Chen, B. L., Reineke, T. M. & Yaghi, O. M. (2001). Acc. Chem. Res. 13, 319-330.
Feng, X., Zhao, J. S., Liu, B., Wang, L. Y., Zhang, G., Wang, J. G., Shi, X. G. & Liu, Y. Y. (2010). Cryst. Growth Des. 10, 1399-1408.
Jing, X. M., Zhang, L. R., Ma, T. L., Li, G. H., Yu, Y., Huo, Q. S., Eddaoudi, M. & Liu, Y. L. (2010). Cryst. Growth Des. 10, 492-494.
Li, X., Wu, B. L., Wang, R. Y., Zhang, H. Y., Niu, C. Y., Niu, Y. Y. & Hou, H. H. (2010). Inorg. Chem. 49, 2600-2613.
Meng, C. X., Li, D. S., Zhao, J., Fu, F., Zhang, X. N., Tang, L. & Wang, Y. Y. (2009). Inorg. Chem. Commun. 12, 793-795.
Rigaku (2000). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, S. A., Zhang, L. R., Li, G. H., Huo, Q. S. & Liu, Y. L. (2008). CrystEngComm, 10, 1662-1666.
Zhang, F. W., Li, Z. F., Ge, T. Z., Yao, H. C., Li, G., Lu, H. J. & Zhu, Y. (2010). Inorg. Chem. 49, 3776-3788.
Zhang, L. P., Ma, J. F., Yang, J., Pang, Y. Y. & Ma, J. C. (2010). Inorg. Chem. 49, 1535-1550.

metal-organic compounds