catena-Poly[[bis­(dimethyl­formamide-κO)cadmium]-bis­(μ-4-nitro­phenyl­cyanamido-κ2 N 1:N 3)]

Hossein Chiniforoshan; Mehdi Jazestani; Behrouz Notash

doi:10.1107/S1600536812001924

. 2012 Feb 4;68(Pt 3):m232. doi: 10.1107/S1600536812001924

catena-Poly[[bis(dimethylformamide-κO)cadmium]-bis(μ-4-nitrophenylcyanamido-κ² N ¹:N ³)]

Hossein Chiniforoshan ^a,^*, Mehdi Jazestani ^a, Behrouz Notash ^b

PMCID: PMC3297207 PMID: 22412397

Abstract

In the title coordination polymer, [Cd(C₇H₄N₃O₂)₂(C₃H₇NO)₂]_n, the Cd^II atom, lying on an inversion center, is six-coordinated in a distorted N₄O₂ octahedral geometry. The N atoms of the 4-nitrophenylcyanamide anions form the equatorial plane and the O atoms of the dimethylformamide molecules occupy the axial positions. The anions act as bridging ligands, connecting the Cd atoms into a one-dimensional coordination polymer along [100].

Related literature

For background to phenylcyanamide ligands and their complexes, see: Crutchley (2001 ▶). For polynuclear complexes of phenylcyanamide ligands, see: Ainscough et al. (1991 ▶); Chiniforoshan et al. (2009 ▶, 2010 ▶); Escuer et al. (2004 ▶). For the preparation of 4-nitro-phenylcyanamide used in the synthesis of the title compound, see: Crutchley & Naklicki (1989 ▶).

Experimental

Crystal data

[Cd(C₇H₄N₃O₂)₂(C₃H₇NO)₂]
M _r = 582.87
Triclinic,
a = 5.6070 (11) Å
b = 9.811 (2) Å
c = 11.679 (2) Å
α = 67.44 (3)°
β = 81.93 (3)°
γ = 84.28 (3)°
V = 586.7 (2) Å³
Z = 1
Mo Kα radiation
μ = 0.98 mm⁻¹
T = 298 K
0.45 × 0.10 × 0.08 mm

Data collection

Stoe IPDS 2T diffractometer
Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2002 ▶) T _min = 0.887, T _max = 0.923
6589 measured reflections
3150 independent reflections
3038 reflections with I > 2σ(I)
R _int = 0.066

Refinement

R[F ² > 2σ(F ²)] = 0.044
wR(F ²) = 0.114
S = 1.11
3150 reflections
162 parameters
H-atom parameters constrained
Δρ_max = 0.82 e Å⁻³
Δρ_min = −0.89 e Å⁻³

Data collection: X-AREA (Stoe & Cie, 2002 ▶); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812001924/hy2496sup1.cif

e-68-0m232-sup1.cif^{(16.9KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812001924/hy2496Isup2.hkl

e-68-0m232-Isup2.hkl^{(154.5KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Cd1—N1ⁱ	2.287 (3)
Cd1—O3	2.347 (3)
Cd1—N2	2.383 (3)

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Symmetry code: (i) Inline graphic .

Acknowledgments

The authors acknowledge financial support from Isfahan University of Technology.

supplementary crystallographic information

Comment

Phenylcyanmide ligands can act as monodentate, bidentate and also as bridging ligands (Crutchley, 2001). In the bridging mode, the cyanamido group (NCN) is coordinated in an end-to-end mode, forming polynuclear complexes (Ainscough et al., 1991; Chiniforoshan et al., 2009, 2010; Escuer et al., 2004).

Following our work with this family of ligands, we report here the synthesis and crystal structure of a cadmium(II) coordination polymer of 4-nitro-phenylcyanamide ligand (Crutchley & Naklicki, 1989). The asymmetric unit of the title compound is shown in Fig. 1. In the title compound, the Cd^II atom lies on an inversion center and has a distorted octahedral geometry (Fig. 2, Table 1). The coordination environment consists of four N atoms from 4-nitro-phenylcyanamide ligands in the equatorial plane and two O atoms from DMF molecules in the axial positions. The one-dimensional structure of the title compound is shown in Fig. 2.

Experimental

4-Nitrophenylcynamide (Crutchley & Naklicki, 1989) (0.163 g, 1 mmol) was dissolved in methanol (25 ml) and was added slowly to a solution of cadmium(II) acetate (0.133 g, 0.5 mmol) in methanol (25 ml). The mixture was stirred for 3 hrs. The resulting solid was filtered off. Yellow needles of the title compound were obtained by n-hexane diffusion into a DMF solution of the title compound after 4 weeks.