Hexaaqua­cadmium(II) 2,2′-(azino­dimethyl­idyne)dibenzene­sulfonate dihydrate

Lian-Cai Du

doi:10.1107/S1600536808039032

. 2008 Nov 26;64(Pt 12):m1625. doi: 10.1107/S1600536808039032

Hexaaquacadmium(II) 2,2′-(azinodimethylidyne)dibenzenesulfonate dihydrate

Lian-Cai Du ^a,^*

PMCID: PMC2959959 PMID: 21581215

Abstract

In the title compound, [Cd(H₂O)₆](C₁₄H₁₀O₆N₂S₂)·2H₂O, the complete cation and anion are each generated by crystallographic inversion symmetry. In the crystal structure, the components form a three-dimensional network by way of O—H⋯O and O—H⋯N hydrogen bonds.

Related literature

For background to the properties and potential applications of organic–inorganic hybrid materials, see: Hagrman et al. (1998 ▶); Ranford et al. (1998 ▶).

Experimental

Crystal data

[Cd(H₂O)₆](C₁₄H₁₀O₆N₂S₂)·2H₂O
M _r = 622.89
Triclinic,
a = 7.8329 (11) Å
b = 7.9824 (12) Å
c = 10.1010 (15) Å
α = 92.723 (1)°
β = 102.076 (2)°
γ = 105.924 (2)°
V = 590.19 (15) Å³
Z = 1
Mo Kα radiation
μ = 1.17 mm⁻¹
T = 298 (2) K
0.45 × 0.40 × 0.28 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T _min = 0.621, T _max = 0.735
3081 measured reflections
2041 independent reflections
1929 reflections with I > 2σ(I)
R _int = 0.018

Refinement

R[F ² > 2σ(F ²)] = 0.023
wR(F ²) = 0.061
S = 1.06
2041 reflections
152 parameters
H-atom parameters constrained
Δρ_max = 0.33 e Å⁻³
Δρ_min = −0.42 e Å⁻³

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); 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/S1600536808039032/hb2858sup1.cif

e-64-m1625-sup1.cif^{(16.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808039032/hb2858Isup2.hkl

e-64-m1625-Isup2.hkl^{(100.4KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Cd1—O5	2.2555 (18)
Cd1—O4	2.2589 (17)
Cd1—O6	2.2947 (18)

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

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H4A⋯O2ⁱ	0.85	1.94	2.783 (3)	171
O4—H4B⋯O1ⁱⁱ	0.85	2.03	2.872 (2)	174
O5—H5A⋯O1ⁱⁱⁱ	0.85	1.99	2.831 (3)	173
O5—H5B⋯O7^iv	0.85	2.00	2.843 (3)	173
O6—H6A⋯O7	0.85	2.08	2.881 (3)	157
O6—H6B⋯N1^v	0.85	2.15	2.993 (3)	169
O7—H7A⋯O3^vi	0.85	1.85	2.692 (3)	172
O7—H7B⋯O2ⁱⁱⁱ	0.85	2.21	3.002 (3)	156

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

Acknowledgments

The authors thank the Science and Technology Foundation of Weifang (2008–19) for a research grant.

supplementary crystallographic information

Comment

The design and synthesis of organic/inorganic hybrid materials have attracted intense attention in recent years owing to their potential practical applications, such as antitumor, antidiabetic, antitubercular activities, magnetism and catalysis [Ranford, et al., 1998; Hagrman, et al., 1998]. As part of our studies in this area, we now report the synthesis and crystal structure of the title compound, (I).

The Cd(II) centre is six-coordinate with six O donors of H₂O, and adopts distorted octahedral coordination (Table 1, Fig. 1). In the crystal, the molecules form a three-dimensional network by way of O—H···O and O—H···N hydrogen bonds (Table 2).

Experimental

A solution of 1.0 mmol 2-formyl-benzenesulfonic acid-hydrazine and 1.0 mmol NaOH in 5 ml 95% ethanol was added to a solution of 0.5 mmol Cd(CH₃COO)₂.4H₂O in 5 ml ethanol at room temperature. The mixture was refluxed for 4 h with stirring, then the resulting precipitate was filtered, washed, and dried in vacuo over P₄O₁₀ for 48 h. Colourless blocks of (I) were obtained by slowly evaporating from methanol at room temperature.