Poly[[aqua(1-naphthylacetato)cadmium(II)]-μ3-pyridin-3-olato]

In the title complex, [Cd(C5H4NO)(C12H9O2)(H2O)]n, each CdII atom is coordinated by two carboxylate O atoms from one 1-naphthylacetate ligand, two hydroxyl O atoms from two pyridin-3-olate ligands, one N atom from another pyridin-3-olate ligand and one water molecule, and displays a distorted octahedral coordination geometry. The compound forms infinite chains of pyridin-3-olate ligands bridging 1-naphthylacetate–CdII units parallel to the b axis, with a Cd⋯Cd separation of 3.578 (2) Å. The chains are further self-assembled into a supramolecular network through intermolecular O—H⋯O hydrogen-bonding interactions.

In the title complex, [Cd(C 5 H 4 NO)(C 12 H 9 O 2 )(H 2 O)] n , each Cd II atom is coordinated by two carboxylate O atoms from one 1-naphthylacetate ligand, two hydroxyl O atoms from two pyridin-3-olate ligands, one N atom from another pyridin-3olate ligand and one water molecule, and displays a distorted octahedral coordination geometry. The compound forms infinite chains of pyridin-3-olate ligands bridging 1-naphthylacetate-Cd II units parallel to the b axis, with a CdÁ Á ÁCd separation of 3.578 (2) Å . The chains are further selfassembled into a supramolecular network through intermolecular O-HÁ Á ÁO hydrogen-bonding interactions.

Poly[[aqua(1-naphthylacetato)cadmium(II)]-µ 3 -pyridin-3-olato]
Chun-Yan Ma, Wen-Dong Song and Dan-Li Xi S1. Comment In structural investigations of complexes containing the 1-naphthylacetic acid ligand, it has been found that this molecule can act as a multidentate ligand with a range of versatile binding and coordination modes (Chen et al., 2004;Duan et al., 2007;Liu et al., 2006;Tang et al., 2006). In this paper, we report the crystal structure of the a new Cd complex obtained by the reaction of 1-naphthylacetic acid, 3-hydroxypyridine and cadmium chloride in alkaline aqueous solution.
As illustrated in Figure 1, each Cd II atom, has a distorted octahedral geometry with the six coordinating atoms being two carboxyl O atoms from one 1-naphthylacetate ligands, two hydroxyl O atoms from two pyridin-3-olate ligands, one N atom from another pyridin-3-olate ligand and one water molecule. The pyridin-3-olate ligands connect 1-naphthylacetate-Cd II units to form an infinite chain parallel to the b axis with a Cd···Cd separation of 3.578 (2) Å. These chains are further assembled by intermolecular O-H···O hydrogen bonding, with the coordinating water molecules as donors and the carboxyl O atoms as acceptors, thus forming a supramolecular network (Fig. 2).

S2. Experimental
A mixture of cadmium chloride (1 mmol), 3-hydroxypyridine (1 mmol), 1-naphthylacetic acid (1 mmol), NaOH (1.5 mmol) and H 2 O (12 ml) was placed in a 23 ml Teflon reactor, which was heated to 433 K for three days and then cooled to room temperature at a rate of 10 K h -1 . The crystals obtained were washed with water and dryed in air.

S3. Refinement
Carbon-bound H atoms were placed at calculated positions and were treated as riding on the parent C atoms with C-H = 0.93-0.97 Å, and with U iso (H) = 1.2 U eq (C). Water H atoms were tentatively located in difference Fourier maps and were refined with distance restraints of O-H = 0.82 Å and H···H = 1.29 Å, each within a standard deviation of 0.01 Å with

Figure 1
The structure of the title compound, showing the atomic numbering scheme. Non-H atoms are shown with 30% probability displacement ellipsoids. Unlabeled atoms are related to the labelled atoms by the symmetry operator (1 -x, 2y, 1 -z).

Figure 2
A packing view of the title compound. The intermolecluar hydrogen bonds are shown as dashed lines. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.