catena-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-bis(μ3-2-hydroxy-5-sulfonatobenzoato)] acetic acid monosolvate]

In the title compound, [Pb2(C7H4O6S)2(C12H8N2)2(H2O)2]·CH3COOH, the seven-coordinate PbII atom is chelated by two N atoms of one 1,10-phenanthroline ligand, four O atoms from three 5-sulfosalicylate dianions and one water O atom. Each dianion serves as a bridging ligand, connecting adjacent PbII atoms into a centrosymmetric polymeric chain extending parallel to [001]. There are π–π interactions between the aromatic systems of neighbouring dianions, with plane-to-plane distances of 3.371 (2) Å, and between phenanthroline ligands, with a centroid-to-centroid distance of 3.484 (2) Å. O—H⋯O hydrogen bonding additionally stabilizes the crystal packing. The acetic acid molecules are incorporated in the voids of this arrangement. They exhibit half-occupancy due to disorder around a centre of inversion.

In the voids of this arrangement acetic acid molecules are incorporated. They exhibit half-occupancy due to disorder around a centre of inversion.

Experimental
A mixture of Pb(CH 3 COO) 2 .3H 2 O (0.5 mmol, 0.1897 g) and 1.10-phenanthroline (0.5 mmol, 0.0991 g) in a solution of dimethylacetylamide (DMAC; 20 ml) was stirred for 20 min. Then 5-sulfosalicylic acid dihydrate (0.5 mmol, 0.1271 g) and NaOH (0.5 mmol, 0.0200 g) were dissolved in water (20 ml), which was added dropwise into the previous solution under stirring. The mixed solution was stirred for 1 h and filtered. The resulting solution was set aside for evaporation at room temperature for 11 d, and colorless block-shaped single crystals were obtained.

Figure 1
The molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level.   The π-π stacking of the 1,10-phenanthroline units in the title compound. Only one orientation of the disordered acetic acid molecule is shown.

catena-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-bis(µ 3 -2-hydroxy-5-sulfonatobenzoato)] acetic acid monosolvate]
Crystal data where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.002 Δρ max = 1.83 e Å −3 Δρ min = −0.84 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq Occ. (