catena-Poly[[[dibromidocadmium]-μ2-1,1′-(butane-1,4-di­yl)bis­(pyridinium-4-carboxyl­ate)] monohydrate]

Feijun Guo; Yuan Li; Simin Yang; Ruizhan Chen

doi:10.1107/S160053681101662X

. 2011 May 7;67(Pt 6):m729. doi: 10.1107/S160053681101662X

catena-Poly[[[dibromidocadmium]-μ₂-1,1′-(butane-1,4-diyl)bis(pyridinium-4-carboxylate)] monohydrate]

Feijun Guo ^a, Yuan Li ^b, Simin Yang ^b, Ruizhan Chen ^b,^*

PMCID: PMC3120531 PMID: 21754625

Abstract

In the title compound, {[CdBr₂(C₁₆H₁₆N₂O₄)]·H₂O}_n, the Cd^II ion is six-coordinated by a Br₂O₄ donor set, with four O atoms from two bridging 1,1′-(butane-1,4-diyl)bis(pyridinium-4-carboxylate) ligands. The ligands link the Cd^II ions into a zigzag chain extending along [0 Inline graphic 1]. O—H⋯O and O—H⋯Br hydrogen bonds involving the uncoordinated water molecules connect the chains.

Related literature

For the design and synthesis of coordination polymers, see: Li et al. (2005 ▶). For a related structure, see: Ma et al. (2000 ▶).

Experimental

Crystal data

[CdBr₂(C₁₆H₁₆N₂O₄)]·H₂O
M _r = 590.53
Triclinic,
a = 7.6529 (5) Å
b = 9.3969 (6) Å
c = 14.0198 (9) Å
α = 74.410 (1)°
β = 87.060 (2)°
γ = 71.581 (1)°
V = 920.75 (10) Å³
Z = 2
Mo Kα radiation
μ = 5.56 mm⁻¹
T = 296 K
0.20 × 0.17 × 0.16 mm

Data collection

Bruker APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.34, T _max = 0.41
5114 measured reflections
3600 independent reflections
3238 reflections with I > 2σ(I)
R _int = 0.013

Refinement

R[F ² > 2σ(F ²)] = 0.042
wR(F ²) = 0.118
S = 1.08
3600 reflections
241 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 1.45 e Å⁻³
Δρ_min = −2.11 e Å⁻³

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); 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 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681101662X/hy2426sup1.cif

e-67-0m729-sup1.cif^{(17.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S160053681101662X/hy2426Isup2.hkl

e-67-0m729-Isup2.hkl^{(172.9KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Cd1—O1	2.476 (4)
Cd1—O2	2.345 (4)
Cd1—O3ⁱ	2.409 (4)
Cd1—O4ⁱ	2.435 (4)
Cd1—Br1	2.5728 (8)
Cd1—Br2	2.6162 (8)

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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
O1W—H1A⋯O2ⁱⁱ	0.84 (7)	2.10 (7)	2.934 (6)	174 (5)
O1W—H1B⋯Br2ⁱⁱⁱ	0.83 (5)	2.65 (6)	3.467 (4)	169 (6)

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

Acknowledgments

We thank Changchun Normal University for support.

supplementary crystallographic information

Comment

The design and synthesis of coordination polymers are of great interest for their intriguing architectures and potential applications (Li et al., 2005). In this paper, the structure of the title compound is described.

As shown in Fig. 1, the Cd^II ion is six-coordinated by two Br^- anions and four O atoms from two butane-1,4-diylbis(pyridinium-1-yl-4-carboxylate (L) ligands (Table 1). The two carboxylate groups of the L ligand display a bidentate chelating mode. The bond distances and angles are normal (Ma et al., 2000). As illustrated in Fig. 2, each L ligand bridges two Cd^II ions, resulting in a one-dimensional zigzag chain, with a Cd···Cd separation of 14.630 (1) Å. O—H···O and O—H···Br hydrogen bonds (Table 2) involving the uncoordinated water molecules connect the chains.

Experimental

The ligand L was synthesized according to literature (Li et al., 2005). A mixture of Cd(NO₃)₂.4H₂O (0.015 g), L (0.023 g), NaOH (0.004 g) and water (10 ml) was heated at 80°C for 25 min. After the mixture had been cooled to room temperature, colorless crystals of the title compound were obtained (yield: 43%).