catena-Poly[[[tetra­aqua­cobalt(II)]-μ-4,4′-bipyridine-κ2 N:N′] 2-[4-(2-carboxyl­ato­eth­yl)phen­oxy]acetate]

Xi-Fang Wang; Chong-Bo Liu; De-He Huang; Zhi-Qiang Xiong

doi:10.1107/S1600536809021552

. 2009 Jun 13;65(Pt 7):m764–m765. doi: 10.1107/S1600536809021552

catena-Poly[[[tetraaquacobalt(II)]-μ-4,4′-bipyridine-κ² N:N′] 2-[4-(2-carboxylatoethyl)phenoxy]acetate]

Xi-Fang Wang ^a, Chong-Bo Liu ^a,^*, De-He Huang ^a, Zhi-Qiang Xiong ^b

PMCID: PMC2969250 PMID: 21582697

Abstract

In the title complex, {[Co(C₁₀H₈N₂)(H₂O)₄](C₁₁H₁₀O₅)}_n, the unique Co^II ion lies on an inversion center and is coordinated by two N atoms from two 4,4′-bipyridine ligands and four O atoms from four water molecules in a slightly distorted octahedral coordination geometry. The 4,4′-bipyridine ligands bridge Co^II ions into a one-dimensional chain structure. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link cations and anions into a three-dimensional network. The dianions are completely disordered about an inversion center.

Related literature

For background to assembly of high-dimensional supramolecular coordination polymers, see: Ye et al. (2005 ▶). For 3-(4-hydroxyphenyl)propanoic acid as a potential multidentate ligand and a good donor and acceptor of hydrogen bonds, see: Tan et al. (2007 ▶). 4,4′-Bipyridine is widely used as a spacer in the construction of supramolecular architectures, see: Tao et al. (2000 ▶); Cussen et al. (2002 ▶). For the analogous one-dimensional structure with a 3-carboxylatophenoxyacetate dianion, see: Zhao et al. (2005 ▶).

Experimental

Crystal data

[Co(C₁₀H₈N₂)(H₂O)₄](C₁₁H₁₀O₅)
M _r = 509.37
Triclinic,
a = 7.1311 (10) Å
b = 7.6319 (10) Å
c = 10.4978 (14) Å
α = 91.930 (1)°
β = 101.832 (1)°
γ = 94.002 (1)°
V = 557.15 (13) Å³
Z = 1
Mo Kα radiation
μ = 0.83 mm⁻¹
T = 291 K
0.50 × 0.41 × 0.21 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.674, T _max = 0.845
4108 measured reflections
2036 independent reflections
2008 reflections with I > 2σ(I)
R _int = 0.011

Refinement

R[F ² > 2σ(F ²)] = 0.036
wR(F ²) = 0.085
S = 1.06
2036 reflections
176 parameters
364 restraints
H-atom parameters constrained
Δρ_max = 0.61 e Å⁻³
Δρ_min = −0.63 e Å⁻³

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); 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 Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809021552/lh2836sup1.cif

e-65-0m764-sup1.cif^{(20.5KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809021552/lh2836Isup2.hkl

e-65-0m764-Isup2.hkl^{(100.1KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Selected geometric parameters (Å, °).

Co1—O1	2.0840 (16)
Co1—O2	2.1083 (16)
Co1—N1	2.1530 (17)

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O1ⁱ—Co1—O1	180
O1—Co1—O2ⁱ	88.34 (7)
O1—Co1—O2	91.66 (7)
O2ⁱ—Co1—O2	180
O1—Co1—N1	91.93 (7)
O2—Co1—N1	90.36 (7)
O1—Co1—N1ⁱ	88.07 (7)
O2—Co1—N1ⁱ	89.63 (7)
N1—Co1—N1ⁱ	180

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Symmetry code: (i) Inline graphic .

Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O2—H4W⋯O4′ⁱⁱ	0.83	2.00	2.796 (10)	161
O2—H4W⋯O4ⁱⁱ	0.83	1.86	2.667 (10)	165
O2—H3W⋯O4ⁱⁱⁱ	0.83	1.96	2.765 (14)	163
O2—H3W⋯O4′ⁱⁱⁱ	0.83	1.86	2.678 (14)	170
O1—H2W⋯O3^iv	0.82	2.07	2.868 (16)	164
O1—H2W⋯O3′^iv	0.82	1.90	2.691 (16)	161
O1—H1W⋯O3^v	0.83	1.97	2.789 (13)	169
O1—H1W⋯O3′^v	0.83	1.79	2.612 (14)	174

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Symmetry codes: (ii) Inline graphic ; (iii) ; (iv) ; (v) .

Acknowledgments

This work was supported by the Young Scientists Program of Jiangxi Province (grant No. 2008DQ00600) and the Natural Science Foundation of Jiangxi Province (grant No. 2008GZH0009).

supplementary crystallographic information

Comment

In recent years, assembly of high-dimensional supramolecular coordination polymers via coordination bonds, hydrogen bonds, and π···π stacks (Ye et al., 2005) have received much attention and carboxylic acid compounds as good donors and acceptors of hydrogen bonds have been widely utilized as ligands. 3-(4-hydroxyphenyl)propanoic acid (Tan et al., 2007) a pseudo-symmetric carboxylate acid is a potential multidentate ligand and a good donor and acceptor of hydrogen bonds, but its coordination polymers are less investigated. 4,4'-bipyridine is a neutral linear bifunctional ligand that is widely used as an excellent spacer in the construction of supramolecular architectures (Cussen et al., 2002; Tao et al., 2000). Here, we report the synthesis and crystals structure of a cobalt supramolecular complex formed using with 4,4'-bipyridine and 3-(4-(carboxymethoxy)phenyl)propanoic acid.

The asymmetric unit and some symmetry related atoms are shown in Fig. 1. The unique Co^II ion lies on an invesion center and is coordinated by two nitrogen atoms from two 4,4'-bipyridine ligands and four oxygen atoms from four water molecules in a slightly distorted octahedral coordination geometry. The molecules of 3-(4-(carboxymethoxy)phenyl)propanoic acid are completely deprotonated but remain uncoordinated, and the 4,4'-bipyridine ligands act as bridging to join the Co^II ions into a one-dimensional chain structure, which is further linked to a 3-D network through intermolecular O—H···O hydrogen bonds.

Experimental

A mixture of CoCl₂.2H₂O (0.1 mmol), 4,4'-bipyridine (0.1 mmol), 3-(4-(carboxymethoxy)phenyl)propanoic acid (0.1 mmol) and 10 ml water was placed in a tube and heated at 363 K for 6 h, then cooled to room temperature. Upon cooling to RT, a few red crystals were obtained. Anal. Calcd for C21H26N2O9Co (509.37): C, 49.47; H, 5.10; N, 5.50%; Found: C, 49.23; H, 4.98; N, 5.19%.