Tetra­aqua­diimidazole­nickel(II) naphthalene-1,5-disulfonate

Ping Liu; Dong-Sheng Deng

doi:10.1107/S1600536807067761

. 2008 Jan 4;64(Pt 2):m275. doi: 10.1107/S1600536807067761

Tetraaquadiimidazolenickel(II) naphthalene-1,5-disulfonate

Ping Liu ^a, Dong-Sheng Deng ^b,^*

PMCID: PMC2960432 PMID: 21201258

Abstract

The triclinic unit cell of the title compound, [Ni(C₃H₄N₂)₂(H₂O)₄](C₁₀H₆O₆S₂), contains one centrosymmetric cation and one centrosymmetric anion. In the cation, the Ni^II ion is six-coordinated by two imidazole ligands [Ni—N = 2.0568 (14) Å] and four water molecules [both independent Ni—O distances are 2.098 (1) Å] in a distorted octahedral geometry. Intermolecular O—H⋯O and N—H⋯O hydrogen bonds form an extensive three-dimensional network, which consolidates the crystal packing.

Related literature

For related literature, see: Côté & Shimizu (2003 ▶); Cai (2004 ▶); Cai et al. (2001 ▶); Chen et al. (2001 ▶, 2002 ▶); Lian et al. (2007 ▶); Liu et al. (2006 ▶); Zhou et al. (2004 ▶).

Experimental

Crystal data

[Ni(C₃H₄N₂)₂(H₂O)₄](C₁₀H₆O₆S₂)
M _r = 553.21
Triclinic,
a = 8.285 (3) Å
b = 8.925 (3) Å
c = 9.088 (3) Å
α = 107.705 (5)°
β = 101.628 (5)°
γ = 111.967 (5)°
V = 554.6 (3) Å³
Z = 1
Mo Kα radiation
μ = 1.12 mm⁻¹
T = 273 (2) K
0.37 × 0.28 × 0.22 mm

Data collection

Bruker SMART 1K CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T _min = 0.681, T _max = 0.790
4834 measured reflections
2499 independent reflections
2262 reflections with I > 2σ(I)
R _int = 0.011

Refinement

R[F ² > 2σ(F ²)] = 0.024
wR(F ²) = 0.067
S = 1.08
2499 reflections
167 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.35 e Å⁻³
Δρ_min = −0.25 e Å⁻³

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 2001 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL (Bruker, 1997 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807067761/cv2373sup1.cif

e-64-0m275-sup1.cif^{(16.9KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807067761/cv2373Isup2.hkl

e-64-0m275-Isup2.hkl^{(122.7KB, hkl)}

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

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WA⋯O3ⁱ	0.82 (2)	2.022 (15)	2.7507 (18)	148 (2)
O1W—H1WB⋯O1	0.82 (2)	2.018 (14)	2.788 (2)	156 (3)
O2W—H2WA⋯O1ⁱⁱ	0.81 (2)	1.962 (10)	2.7496 (19)	161 (2)
O2W—H2WB⋯O2ⁱⁱⁱ	0.81 (2)	1.96 (2)	2.7979 (18)	173 (2)
N2—H7A⋯O3^iv	0.86	2.19	2.981 (2)	154

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

Acknowledgments

We acknowledge financial support from Henan Institute of Science and Technology, and we thank Professor Ji-Wen Cai for his kind assistance.

supplementary crystallographic information

Comment

The weak coordination nature of SO₃^- makes its coordination mode very flexible and sensitive to the chemical environment (Côté et al., 2003). It is known that the coordination behavior of arenesulfonates with transition metals can be tailored in the presence of amino ligands (Lian et al., 2007; Liu et al., 2006; Zhou et al., 2004; Chen et al., 2001; Cai et al., 2001; Chen et al., 2002). Herewith we present the crystal structure of the title compound, [C₆H₁₆N₄NiO₄]²⁺.[C₁₀H₆O₆S₂]^2- (I) (Fig. 1).

The asymmetric unit of (I) contains a half of complex cation and a half of organic anion. Four water molecules coordinate to the nickel ion in trans position, respectively, and two imine nitrogen atoms from two imidazole ligands coordinate to nickel atom in trans position too. Thus, the nickel ion has a slightly distorted octahedral coordination geometry.

The title compound adopts the same hybrid organic-inorganic packing pattern as that reported earlier (Cai, 2004; Chen et al., 2001; Cai et al., 2001; Chen et al., 2002). The intermolecular O—H···O and N—H···O hydrogen bonds (Table 1) form an extensive three-dimensional network, which consolidates the crystal packing.

Experimental

Disodium naphthalene-1,5-disulfonate (0.33 g, 1 mmol) and imidazole (0.27 g, 4 mmol) were added to an aqueous solution of NiCl₂6H₂O (0.24 g, 1 mmol). The result solution was stirred at 60°C for four hours in a water bath. After filtration, a clear solution was set aside to crystallize. Platelike blue crystals were collected in 70% yield (base on Ni) after three days. Anal. Calcd for C₁₆H₂₂N₄O₁₀S₂Ni: C, 34.74; H, 4.01; N, 10.13; Found: C, 34.71; H, 4.06; N, 10.18.