Poly[(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)(μ3-5-hy­droxy­isophthalato-κ4 O 1:O 3,O 3′:O 3′)cadmium]

Xi-Ying Hu; Wen-Hang Zhai; Ning Ma; Guang-Rui Yang

doi:10.1107/S1600536811035975

. 2011 Sep 14;67(Pt 10):m1352. doi: 10.1107/S1600536811035975

Poly[(5,5′-dimethyl-2,2′-bipyridine-κ² N,N′)(μ₃-5-hydroxyisophthalato-κ⁴ O ¹:O ³,O ^3′:O ^3′)cadmium]

Xi-Ying Hu ^a,^*, Wen-Hang Zhai ^a, Ning Ma ^a, Guang-Rui Yang ^a

PMCID: PMC3201542 PMID: 22065692

Abstract

In the title compound, [Cd(C₈H₄O₅)(C₁₂H₁₂N₂)], the Cd^II cation is coordinated by three 5-hydroxyisophthalate anions and one 5,5′-bimethyl-2,2′-bipyridine ligand in a distorted CdO₄N₂ octahedral geometry. The 5-hydroxyisophthalate anions bridge the Cd cations, forming a two-dimensional polymeric complex parallel to (100). In the complex, the hydroxy group is linked to the uncoordinated carboxy-O atom via an O—H⋯O hydrogen bond. Weak C—H⋯O hydrogen bonds are also present in the crystal structure. One of the methyl groups is disordered over two positions in a 0.536 (11):0.464 (11) ratio.

Related literature

For background to network topologies and applications of coordination polymers, see: Maspoch et al. (2007 ▶); Ockwig et al. (2005 ▶); Zang et al. (2011 ▶).

Experimental

Crystal data

[Cd(C₈H₄O₅)(C₁₂H₁₂N₂)]
M _r = 476.75
Monoclinic,
a = 10.7650 (2) Å
b = 13.0111 (3) Å
c = 16.5272 (4) Å
β = 125.235 (2)°
V = 1890.77 (7) Å³
Z = 4
Mo Kα radiation
μ = 1.19 mm⁻¹
T = 296 K
0.21 × 0.20 × 0.19 mm

Data collection

Bruker APEXII CCD area detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T _min = 0.788, T _max = 0.806
7327 measured reflections
3315 independent reflections
2963 reflections with I > 2σ(I)
R _int = 0.022

Refinement

R[F ² > 2σ(F ²)] = 0.024
wR(F ²) = 0.063
S = 1.03
3315 reflections
261 parameters
19 restraints
H-atom parameters constrained
Δρ_max = 0.44 e Å⁻³
Δρ_min = −0.49 e Å⁻³

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811035975/xu5315sup1.cif

e-67-m1352-sup1.cif^{(23.6KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811035975/xu5315Isup2.hkl

e-67-m1352-Isup2.hkl^{(162.6KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Cd1—O1	2.1884 (19)
Cd1—O3ⁱ	2.4015 (19)
Cd1—O4ⁱ	2.3209 (18)
Cd1—O4ⁱⁱ	2.3922 (19)
Cd1—N1	2.329 (2)
Cd1—N2	2.340 (2)

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Symmetry codes: (i) Inline graphic ; (ii) .

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

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5⋯O2ⁱⁱⁱ	0.82	1.86	2.680 (3)	174
C6—H6⋯O1^iv	0.93	2.31	3.229 (3)	169
C17—H17⋯O3^v	0.93	2.53	3.355 (5)	147

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

Acknowledgments

This work was supported financially by the North China University of Water Conservancy and Electric Power, China.

supplementary crystallographic information

Comment

In recent years, supramolecular coordination assemblies have received much attention due to their variety of architectures and the potential applications as functional materials (Maspoch et al., 2007; Ockwig et al., 2005). A great number of isophthalic acid and its derivatives have been successfully employed in the generation of many novel structures (Zang et al., 2011). To further explore various factors that influence the properties and construction of coordination compounds, we undertake synthetic and structural studies on one novel Cd(II) complex based on 5-hydroxyisophthalic acid (H₂hip) and 5,5'-bimethyl-2,2'-bipyridine(bmbpy): Cd(hip)(bmbpy) (1).

As shown in Fig. 1, the asymmetric unit consists of one Cd^II atom, one hip^2- anion and one dmbpy ligand. The Cd^II atom is six-coordinated by four O atoms from three 5-hydroxyisophthalate ligands and two N atoms from a chelating 5,5'-bimethyl-2,2'-bipyridine ligand. Each hip^2- ligand acts as a µ₃-bridge linking three Cd^II atoms with one carboxylate groups in monodentate fashion and the other one in chelating/bridging mode. As depicted in Fig. 2, pair of metal atoms are linked together through two carboxylate oxygen atoms to form a tetratomic ring Cd₂O₂. Adjacent rings are further connected by hip^2- ligands to result in a layer structure in bc plane with the N-donor ligands hanging from it. A better understanding of this structure can be achieved via topological considerations. If the hip^2- ligand are considered as connecters, and the Cd₂O₂ Units are considered as four-connected nodes (connecting to four other such units via hip^2- ligands), the layer structure of 1 can be described as a (4,4)-net.

Experimental

Compound 1 was synthesized hydrothermally in a Teflon-lined stainless steel container by heating a mixture of 5-hydroxyisophthalic acid (H₂hip) (0.0091 g, 0.05 mmol), 5,5'-bimethyl-2,2'-bipyridine(bmbpy) (0.0092 g, 0.05 mmol), Cd(NO₃)₂.4H₂O (0.0154 g, 0.05 mmol) and NaOH (0.0040 g, 0.1 mmol) in 7 ml of distilled water at 120°C for 3 days, and then cooled to room temperature. Colorless block crystals of 1 were obtained in 69% yield based on cadmium.