catena-Poly[[aqua­(2,2′-bipyridyl)cobalt(II)]-μ-5-nitro­isophthalato]

Ying Liu; Qingpeng He; Xianxi Zhang; Zechun Xue; Chunyan Lv

doi:10.1107/S1600536808038178

This article has been retracted.

Retraction in: Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 13;68(Pt 7):e14 See also: PMC Retraction Policy

. 2008 Nov 22;64(Pt 12):m1605–m1606. doi: 10.1107/S1600536808038178

catena-Poly[[aqua(2,2′-bipyridyl)cobalt(II)]-μ-5-nitroisophthalato]

Ying Liu ^a,^*, Qingpeng He ^a, Xianxi Zhang ^a, Zechun Xue ^a, Chunyan Lv ^a

PMCID: PMC2960127 PMID: 21581202

Abstract

In the crystal structure of the title compound, [Co(C₈H₃NO₆)(C₁₀H₈N₂)(H₂O)]_n, there are two symmetry-independent one-dimensional coordination polymers, which are approximately related by noncrystallographic inversion symmetry. Each zigzag chain is constructed from one Co^II ion, one O-monodentate 5-nitroisophthalate (ndc) dianion, one N,N′-bidentate 2,2′-bipyridyl ligand and one water molecule. A symmetry-generated O,O′-bidentate ndc dianion completes the cobalt coordination environment, which could be described as very distorted cis-CoN₂O₄ octahedral. The bridging ndc ligands result in parallel chains running along the a direction, and O—H⋯O hydrogen bonds arising from the water molecules complete the structure.

Related literature

For uses of carboxylic acids in materials science, see: Church & Halvorson (1959 ▶); and in biological systems, see: Okabe & Oya (2000 ▶).

Experimental

Crystal data

[Co(C₈H₃NO₆)(C₁₀H₈N₂)(H₂O)]
M _r = 442.24
Monoclinic,
a = 10.0125 (10) Å
b = 23.575 (2) Å
c = 15.403 (2) Å
β = 97.28 (1)°
V = 3606.3 (7) Å³
Z = 8
Mo Kα radiation
μ = 1.00 mm⁻¹
T = 293 (2) K
0.43 × 0.28 × 0.20 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T _min = 0.673, T _max = 0.825
18893 measured reflections
6672 independent reflections
5103 reflections with I > 2σ(I)
R _int = 0.025

Refinement

R[F ² > 2σ(F ²)] = 0.037
wR(F ²) = 0.106
S = 1.01
6672 reflections
535 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.95 e Å⁻³
Δρ_min = −0.29 e Å⁻³

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT-Plus (Bruker, 2001 ▶); 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 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808038178/hb2844sup1.cif

e-64-m1605-sup1.cif^{(27.5KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808038178/hb2844Isup2.hkl

e-64-m1605-Isup2.hkl^{(326.5KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Co1—N2	2.065 (2)
Co1—N1	2.075 (2)
Co1—O2	2.0369 (19)
Co1—O1W	2.102 (2)
Co1—O5ⁱ	2.131 (2)
Co1—O6ⁱ	2.257 (2)
Co2—N3	2.073 (2)
Co2—N4	2.078 (3)
Co2—O12	2.031 (2)
Co2—O2W	2.089 (2)
Co2—O10ⁱⁱ	2.116 (2)
Co2—O9ⁱⁱ	2.294 (2)

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

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

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1W⋯O12ⁱ	0.830 (10)	2.01 (2)	2.771 (3)	153 (3)
O2W—H4W⋯O2ⁱⁱ	0.831 (10)	1.957 (17)	2.747 (3)	159 (3)
O1W—H2W⋯O9	0.830 (10)	2.05 (2)	2.763 (3)	143 (3)
O2W—H3W⋯O6	0.835 (10)	2.10 (3)	2.781 (3)	138 (3)

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

Acknowledgments

The authors thank the Natural Science Foundation of China (grant No. 20501011) and are grateful for financial support from Liaocheng University (grant No. X071011).

supplementary crystallographic information

Comment

In recent years, carboxylic acids have been widely used as polydentate ligands, which can coordinate to transition or rare earth ions yielding complexes with interesting properties that are useful in materials science (Church & Halvorson, 1959) and in biological systems (Okabe & Oya, 2000). The importance of transition metal dicarboxylate complexes motivated us to pursue synthetic strategies for these compounds, using 5-nitroisophthalic acid as a polydentate ligand. Here we report the synthesis and X-ray crystal structure analysis of the title compound, (I), (Fig. 1).

Compound (I) is constructed from two zigzag chains, each containing one Co^II atom, one O-monodentate 5-nitroisophthalato (ndc) dianion, one N,N-bidentate 2,2'-bipyridyl ligand and one water molecule. A symmetry-generated, O,O-bidentate ndc dianion completes the cobalt coordination, which could be described as very distorted cis-CoN₂O₄ octahedral (Table 1). The bridging ndc ligands result in parallel chains running along the a direction (Fig. 2) and O—H···O hydrogen bonds arising from the water molecules (Table 2) complete the structure (Fig. 3).

Experimental

A mixture of cobalt dichloride (0.5 mmol), 2,2'-bipyridine (0.5 mmol), and 5-nitroisophthalic acid (0.5 mmol) in H₂O (8 ml) and ethanol (8 ml) sealed in a 25 ml Teflon-lined stainless steel autoclave was kept at 413 K for three days. Red blocks of (I) were obtained after cooling to room temperature with a yield of 27%. Anal. Calc. for C₁₈H₁₃CoN₃O₇: C 48.34, H 2.91, N 10.74%; Found: C 48.30, H 2.84, N 10.69%.