catena-Poly[[di-μ-iodido-dicopper(I)(Cu—Cu)]bis­(μ-4,4′-di-3-pyridyl-2,2′-disulfanediyldipyrimidine)]

Hai-Bin Zhu

doi:10.1107/S1600536809052325

. 2009 Dec 12;66(Pt 1):m41. doi: 10.1107/S1600536809052325

catena-Poly[[di-μ-iodido-dicopper(I)(Cu—Cu)]bis(μ-4,4′-di-3-pyridyl-2,2′-disulfanediyldipyrimidine)]

Hai-Bin Zhu ^a,^*

PMCID: PMC2980262 PMID: 21579940

Abstract

The title complex, [Cu₂I₂(C₁₈H₁₂N₆S₂)₂]_n, contains a Cu₂I₂ core with a Cu—Cu distance of 2.6935 (14) Å. The Cu^I atom is coordinated by two bridging 4,4′-di-3-pyridyl-2,2′-disulfanediyldipyrimidine ligands and two bridging I atoms, forming a double chain.

Related literature

For coordination polymers with 4,4′-dipyridinedisulfide, see: Horikoshi & Mochida (2006 ▶). For coordination polymers with 2,2′-dithiobis(4-pyridin-4-yl-pyrimidine), see: Zhu et al. (2009 ▶). For the structure of free 2,2′-dithiobis(3-pyridin-4-yl-pyrimidine), see: Ji et al. (2009 ▶).

Experimental

Crystal data

[Cu₂I₂(C₁₈H₁₂N₆S₂)₂]
M _r = 1133.86
Triclinic,
a = 8.5561 (6) Å
b = 10.7702 (8) Å
c = 11.9045 (8) Å
α = 98.110 (1)°
β = 107.193 (1)°
γ = 96.449 (1)°
V = 1023.66 (13) Å³
Z = 1
Mo Kα radiation
μ = 2.80 mm⁻¹
T = 298 K
0.19 × 0.15 × 0.12 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T _min = 0.611, T _max = 0.715
5395 measured reflections
3568 independent reflections
2956 reflections with I > 2σ(I)
R _int = 0.097

Refinement

R[F ² > 2σ(F ²)] = 0.041
wR(F ²) = 0.108
S = 0.99
3568 reflections
253 parameters
H-atom parameters constrained
Δρ_max = 1.28 e Å⁻³
Δρ_min = −1.03 e Å⁻³

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT-Plus (Bruker, 2007 ▶); data reduction: SAINT-Plus; 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 I, global. DOI: 10.1107/S1600536809052325/hy2260sup1.cif

e-66-00m41-sup1.cif^{(19.2KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809052325/hy2260Isup2.hkl

e-66-00m41-Isup2.hkl^{(175KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Cu1—I1	2.6550 (7)
Cu1—I1ⁱ	2.6579 (8)
Cu1—N1	2.037 (4)
Cu1—N6ⁱⁱ	2.060 (4)

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

Acknowledgments

The author acknowledges finanical support from the China Postdoctoral Reseach Fund (20070411010).

supplementary crystallographic information

Comment

In recent years, heterocyclic disulfide ligands have received increasing attention because of their conformationally defined dihedral angle (Horikoshi & Mochida, 2006). As continuation of our previous research (Zhu et al., 2009), we report here a copper(I) coordination polymer with a 2,2'-dithiobis(3-pyridin-4-ylpyrimidine) (L) ligand.

The Cu^I atom in the title complex has a tetrahedral coordination geometry completed by two N atoms from two different L ligands and two bridging I atoms (Fig. 1 and Table 1). The C—S—S—C torsion angle of 81.2 (2)° in L is almost identical with the free molecule (Ji et al., 2009). Alternative linkings of one Cu₂I₂ core and two bridging L ligands generate a one-dimensional double chain (Fig. 2).

Experimental

A CH₂Cl₂ solution (5 ml) of ligand L (0.1 mmol) was slowly added into a CuI (0.1 mmol) solution in acetonitrile (10 ml). The mixture was kept on standing for 3 d to give single crystals suitable for X-ray diffraction analysis.