Poly[aqua­[μ2-1,1′-(butane-1,4-di­yl)diimidazole](μ2-naphthalene-1,4-dicarboxyl­ato)nickel(II)]

Xian-Zhi Zou

doi:10.1107/S1600536808024008

. 2008 Aug 6;64(Pt 9):m1105. doi: 10.1107/S1600536808024008

Poly[aqua[μ₂-1,1′-(butane-1,4-diyl)diimidazole](μ₂-naphthalene-1,4-dicarboxylato)nickel(II)]

Xian-Zhi Zou ^a,^*

PMCID: PMC2960619 PMID: 21201571

Abstract

In the title compound, [Ni(C₁₂H₆O₄)(C₁₀H₁₄N₄)(H₂O)]_n, the coordination polyhedron around each Ni^II atom is a distorted cis-NiN₂O₄ octahedron. The naphthalene-1,4-dicarboxylate and 1,1′-(butane-1,4-diyl)diimidazole ligands bridge the Ni centres to form a two-dimensional (4,4)-network, and O—H⋯O hydrogen bonds complete the structure.

Related literature

For general background, see: Batten & Robson (1998 ▶). For a related structure, see: Ma et al., (2003 ▶).

Experimental

Crystal data

[Ni(C₁₂H₆O₄)(C₁₀H₁₄N₄)(H₂O)]
M _r = 481.15
Monoclinic,
a = 12.4213 (12) Å
b = 13.2543 (13) Å
c = 13.4328 (13) Å
β = 107.361 (2)°
V = 2110.8 (4) Å³
Z = 4
Mo Kα radiation
μ = 0.96 mm⁻¹
T = 293 (2) K
0.19 × 0.17 × 0.15 mm

Data collection

Bruker APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1998 ▶) T _min = 0.827, T _max = 0.866
11720 measured reflections
4157 independent reflections
2982 reflections with I > 2σ(I)
R _int = 0.063

Refinement

R[F ² > 2σ(F ²)] = 0.049
wR(F ²) = 0.097
S = 1.05
4157 reflections
297 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.54 e Å⁻³
Δρ_min = −0.40 e Å⁻³

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); 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/S1600536808024008/hb2770sup1.cif

e-64-m1105-sup1.cif^{(20.3KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808024008/hb2770Isup2.hkl

e-64-m1105-Isup2.hkl^{(199.6KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Ni1—O1W	2.125 (2)
Ni1—O2	2.040 (2)
Ni1—O1ⁱ	2.116 (2)
Ni1—O3ⁱ	2.347 (2)
Ni1—N1	2.060 (3)
Ni1—N4ⁱⁱ	2.099 (3)

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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—HW12⋯O1ⁱⁱⁱ	0.819 (16)	1.847 (18)	2.661 (3)	172 (3)
O1W—HW11⋯O4	0.83 (4)	1.83 (4)	2.651 (3)	169 (3)

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Symmetry code: (iii) Inline graphic .

Acknowledgments

The author thanks Beihua University for supporting this work.

supplementary crystallographic information

Comment

Metal-organic frameworks are currently of great interest because of their interesting structures and potential applications. So far, some interesting interpenetrated or entangled metal-organic networks with bis(imidazole)-containing ligands have been documented (Batten & Robson, 1998). Flexible ligands such as 1,1'-(1,4-butanediyl)bis(imidazole) (L) have been less explored to date (Ma et al., 2003). In this work, we selected 1,4-naphthalenedicarboxylic acid (H₂ndc) and L as linkers, generating a new coordination polymer, [Ni(ndc)(L)(H₂O)], (I), which is reported here.

In compound (I) each Ni^II atom is six-coordinated by two N atoms from two different L ligands, and four O atoms from three carboxylate oxygen atoms (one bidentate, one monodentate) and one water molecule in a distorted cis-NiN₂O₄ octohedral coordination sphere (Fig. 1). The two neighbouring Ni^II atoms are bridged by the ndc and L ligands to form a two-dimensional (4,4) network (Fig. 2) and O—H···O hydrogen bonds arising from the water molecule (Table 2) complete the structure.

Experimental

A mixture of H₂ndc (0.5 mmol), L (0.5 mmol), NaOH (1 mmol) and NiCl₂^.6H₂O (0.5 mmol) was suspended in 12 ml of deionized water and sealed in a 20-ml Teflon-lined autoclave. Upon heating at 433 K for one week, the autoclave was slowly cooled to room temperature. Green blocks of (I) were collected, washed with deionized water and dried.