Poly[aqua[μ2-1,2-bis­(imidazol-1-yl­methyl)benzene-κ2 N 3:N 3′](μ2-5-bromo­benzene-1,3-dicarboxyl­ato-κ3 O 1,O 1′:O 3)nickel(II)]

Kun Zhu; Hong Chen; Guang-Xiang Liu

doi:10.1107/S1600536809016286

. 2009 May 7;65(Pt 6):m623. doi: 10.1107/S1600536809016286

Poly[aqua[μ₂-1,2-bis(imidazol-1-ylmethyl)benzene-κ² N ³:N ^3′](μ₂-5-bromobenzene-1,3-dicarboxylato-κ³ O ¹,O ^1′:O ³)nickel(II)]

Kun Zhu ^a, Hong Chen ^a, Guang-Xiang Liu ^a,^*

PMCID: PMC2969767 PMID: 21582993

Abstract

In the two-dimensional title coordination polymer, [Ni(C₈H₃BrO₄)(C₁₄H₁₄N₄)(H₂O)]_n, the Ni^II atom adopts a distorted octahedral geometry, being ligated by three O atoms from two different 5-bromobenzene-1,3-dicarboxylate ligands, two N atoms from two 1,2-bis(imidazol-1-ylmethyl)benzene ligands and one coordinated water molecule. The Ni atoms are bridged by the 5-bromobenzene-1,3-dicarboxylate ligands, forming chains, which are further linked by 1,2-bis(imidazol-1-ylmethyl)benzene, generating a layer structure parallel to (001).

Related literature

For general background to self-assembly coordination polymers with metal ions and bis(imidazole) ligands interconnected by flexible spacers, see: Qi et al. (2008 ▶); Liu et al. (2009 ▶). For the role played by different organic anions in directing the final structure and topology, see: Hu et al. (2008 ▶). For related structures, see: Liu et al. (2008 ▶).

Experimental

Crystal data

[Ni(C₈H₃BrO₄)(C₁₄H₁₄N₄)(H₂O)]
M _r = 558.03
Triclinic,
a = 9.1374 (12) Å
b = 10.1394 (14) Å
c = 12.9642 (18) Å
α = 80.046 (2)°
β = 83.233 (2)°
γ = 70.004 (2)°
V = 1109.5 (3) Å³
Z = 2
Mo Kα radiation
μ = 2.72 mm⁻¹
T = 293 K
0.26 × 0.20 × 0.18 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS: Bruker, 1997 ▶) T _min = 0.538, T _max = 0.641
8172 measured reflections
4055 independent reflections
3029 reflections with I > 2σ(I)
R _int = 0.029

Refinement

R[F ² > 2σ(F ²)] = 0.040
wR(F ²) = 0.085
S = 1.04
4055 reflections
291 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.64 e Å⁻³
Δρ_min = −1.12 e Å⁻³

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); 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 I, global. DOI: 10.1107/S1600536809016286/at2774sup1.cif

e-65-0m623-sup1.cif^{(24.2KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809016286/at2774Isup2.hkl

e-65-0m623-Isup2.hkl^{(198.7KB, hkl)}

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

Acknowledgments

This work was supported by the National Natural Science Foundation of China (No. 20731004), the Natural Science Foundation for Outstanding Scholars of Anhui Province, China (grant No. 044-J-04011) and the Natural Science Foundation of Education Commission of Anhui Province, China (No. KJ2008B004).

supplementary crystallographic information

Comment

The self-assembly of coordination polymers has attracted considerable attention in the past decade. This arises mainly for their various intriguing topological structures and their potential applications in material chemistry. Recently significant work has been carried out by using metal ions assembly with bis(imidazole) ligands interconnected by flexible spacers (Qi et al., 2008; Liu et al., 2009). From careful inspection of the reported cases, we found that: the ligand exhibits a special ability to formulate the compounds, and different organic anions play an important role in directing the final structures and topologies (Hu et al., 2008). Inspired by the aftermentioned considerations, 1,2-bis(imidazol-1-ylmethyl)benzene was chosen as neutral ligands, 5-bromobenzene-1,3-dicarboxylate were chosen as co-ligands to construct the title complex (I).

The title coordination polymer is a two-dimensional layer coordination polymer. The Ni^II atom adopts a distorted octahedral geometry, being ligated by three O atoms from two different 5-bromobenzene-1,3-dicarboxylate ligand, two N atoms from two 1,2-bis(imidazol-1-ylmethyl)benzene and one coordinated water molecule, as shown in Fig. 1. The Ni atoms are bridged by 5-bromobenzene-1,3-dicarboxylate ligand to form one-dimensional chain, which are further linked by 1,2-bis(imidazol-1-ylmethyl)benzene to generate a two-dimensional layer structure, as shown in Fig. 2.

Experimental

A mixture of Ni(NO₃)_2.6H₂O (58.2 mg, 0.2 mmol), 5-bromobenzene-1,3-dicarboxylate acid (33.0 mg, 0.1 mmol), 1,2-bis(imidazol-1-ylmethyl)benzene (23.8 mg, 0.1 mmol), NaOH (8 mg, 0.2 mmol) and H₂O (15 ml) was added in a Teflon-lined stainless steel vessel. The vessel was sealed and heated for 3 d at 433 K. After the mixture was slowly cooled to room temperature, green block crystals were obtained in the yield of ca 67% based on Ni.