catena-Poly[[diaqua­bis­[2-(3-oxo-1,3-di­hydro-2-benzofuran-1-yl)acetato-κO]cobalt(II)]-μ-1,2-bis­(pyridin-4-yl)ethane-κ2N:N′]

Sun, C.; Li, Y.; Li, W.; Dong, B.

doi:10.1107/S1600536812044339

Volume 68
Part 11
Page m1433
November 2012

Received 17 October 2012
Accepted 25 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R = 0.055
wR = 0.133
Data-to-parameter ratio = 14.2
Details

catena-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato-O]cobalt(II)]--1,2-bis(pyridin-4-yl)ethane-²N:N']

Changyan Sun,^a ^* Yang Li,^a Wenjun Li ^a and Bin Dong ^a

^aSchool of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, People's Republic of China
Correspondence e-mail: cysun@ustb.edu.cn

In the title complex, [Co(C₁₀H₇O₄)₂(C₁₂H₁₂N₂)(H₂O)₂]_n, the Co^II ion is located on a crystallographic centre of symmetry and is six-coordinated by two N atoms from two 1,2-bis(4-pyridyl)ethane ligands, two carboxylate O atoms from two 1,3-dihydro-3-oxo-1-isobenzofuranacetate ligands and two terminal water ligands. The 1,2-bis(4-pyridyl)ethane ligands act as bidentate ligands, and bridge the Co^II ions into infinite chains extending parallel to [010]. In these chains, there are intra-molecular O-HO hydrogen bonding between the coordination water molecules and carboxylate groups. Inter-molecular O-HO hydrogen bonding between the adjacent chains and [pi] [pi] stacking interactions result in the formation of a three-dimensional supramolecular network.

Related literature

For in situ ligand reactions, see: Zhang et al. (2005); Chen et al. (2007); Zhao et al. (2008).

Experimental

Crystal data

[Co(C₁₀H₇O₄)₂(C₁₂H₁₂N₂)(H₂O)₂]
M_r = 661.51
Triclinic, $[P \overline 1]$
a = 5.4599 (12) Å
b = 10.374 (2) Å
c = 13.617 (3) Å
= 93.912 (4)°
= 99.409 (4)°
= 97.651 (4)°
V = 750.9 (3) Å³
Z = 1
Mo K radiation
= 0.63 mm^-1
T = 293 K
0.20 × 0.18 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1997) T_min = 0.749, T_max = 1.000
4258 measured reflections
3027 independent reflections
2306 reflections with I > 2(I)
R_int = 0.026

Refinement

R[F² > 2(F²)] = 0.055
wR(F²) = 0.133
S = 1.05
3027 reflections
213 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.73 e Å^-3
_min = -0.61 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5BO2	0.90 (5)	1.72 (5)	2.603 (4)	168 (4)
O5-H5BO1	0.90 (5)	2.57 (4)	2.981 (3)	109 (3)
O5-H5AO1ⁱ	0.76 (4)	1.99 (4)	2.752 (3)	172 (4)
Symmetry code: (i) x-1, y, z.

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); 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: HG5263 ).

Acknowledgements

This work was supported by National Nature Science Foundation of China (No. 21101013) and Fundamental Research Funds for the Central Universities (No. FRF-BR-10-002 A).

References

Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, X. M. & Tong, M. L. (2007). Acc. Chem. Res. 40, 162-170.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhang, X. M. (2005). Coord. Chem. Rev. 249, 1201-1219.
Zhao, H., Qu, Z. R., Ye, H. Y. & Xiong, R. G. (2008). Chem. Soc. Rev. 37, 84-100.

metal-organic compounds

catena-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato-O]cobalt(II)]--1,2-bis(pyridin-4-yl)ethane-2N:N']