Diaqua­bis­(4-carb­oxy-2-propyl-1H-imidazole-5-carboxyl­ato-κ2 N 3,O 4)cobalt(II) N,N-dimethyl­formamide disolvate

Shi-Jie Li; Li-Li Ji; Wen-Dong Song; Shi-Wei Hu; Pei-Wen Qin

doi:10.1107/S1600536810042054

. 2010 Oct 23;66(Pt 11):m1443–m1444. doi: 10.1107/S1600536810042054

Diaquabis(4-carboxy-2-propyl-1H-imidazole-5-carboxylato-κ² N ³,O ⁴)cobalt(II) N,N-dimethylformamide disolvate

Shi-Jie Li ^a, Li-Li Ji ^a, Wen-Dong Song ^b,^*, Shi-Wei Hu ^a, Pei-Wen Qin ^c

PMCID: PMC3009030 PMID: 21588865

Abstract

In the title complex, [Co(C₈H₉N₂O₄)₂(H₂O)₂]·2C₃H₇NO, the Co^II cation (site symmetry Inline graphic ) is six-coordinated by two 5-carboxy-2-propyl-1H-imidazole-4-carboxylate ligands and two water molecules in a distorted octahedral environment. In the crystal structure, the complex molecules and dimethylformamide solvent molecules are linked by extensive O—H⋯O and N—H⋯O hydrogen bonding into sheets lying parallel to (21 Inline graphic ).

Related literature

For our past work based on the 2-propyl-1H-imidazole-4,5-carboxylate (H₃pimda) ligand, see: Yan et al. (2010 ▶); Li et al. (2010a ▶,b ▶,c ▶,d ▶); Song et al. (2010 ▶); He et al. (2010 ▶); Fan et al. (2010 ▶). For Co complexes of a similar ligand, see: Lu et al. (2008 ▶); Wang et al. (2004 ▶).

Experimental

Crystal data

[Co(C₈H₉N₂O₄)₂(H₂O)₂]·2C₃H₇NO
M _r = 635.50
Triclinic,
a = 7.3325 (7) Å
b = 9.330 (1) Å
c = 11.2255 (12) Å
α = 76.930 (1)°
β = 87.564 (2)°
γ = 68.857 (1)°
V = 697.06 (12) Å³
Z = 1
Mo Kα radiation
μ = 0.69 mm⁻¹
T = 298 K
0.28 × 0.16 × 0.12 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T _min = 0.831, T _max = 0.922
3602 measured reflections
2393 independent reflections
1785 reflections with I > 2σ(I)
R _int = 0.025

Refinement

R[F ² > 2σ(F ²)] = 0.046
wR(F ²) = 0.120
S = 1.06
2393 reflections
191 parameters
H-atom parameters constrained
Δρ_max = 0.37 e Å⁻³
Δρ_min = −0.52 e Å⁻³

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); 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/S1600536810042054/jh2216sup1.cif

e-66-m1443-sup1.cif^{(19.7KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810042054/jh2216Isup2.hkl

e-66-m1443-Isup2.hkl^{(117.6KB, 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
O5—H5D⋯O4ⁱ	0.83	2.12	2.946 (3)	174
O5—H5C⋯O4ⁱⁱ	0.83	1.94	2.773 (3)	175
O2—H2A⋯O3	0.82	1.66	2.478 (3)	177
N2—H2⋯O6ⁱⁱⁱ	0.86	1.84	2.685 (4)	166

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

Acknowledgments

The work was supported by the Nonprofit Industry Foundation of the National Ocean Administration of China (grant No. 2000905021), the Guangdong Oceanic Fisheries Technology Promotion Project [grant No. A2009003–018(c)], the Guangdong Chinese Academy of Science comprehensive strategic cooperation project (grant No. 2009B091300121), the Guangdong Province key project in the field of social development [grant No. A2009011–007(c)], the Science and Technology Department of Guangdong Province Project (grant No. 00087061110314018) and the Guangdong Natural Science Fundation (No. 9252408801000002)

supplementary crystallographic information

Comment

Design of a metal-organic framework via deliberate selection of metals and multifunctional ligands is one of the most attractive topics because of the fascinating structural diversity and potential applications in catalysis, chirality, conductivity, luminescence, magnetism, sensors, nonlinear optics, and porosity. 2-propyl-1H-imidazole-4,5-carboxylate(H₃pimda) ligand as one derivative of H₃IDC with efficient N,O-donors has been used to obtain new metal-organic complexes by our research group, such as poly[diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-k³ N³, O⁴,O⁵)calcium(II)](Song et al., 2010), [diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-k²N³,O⁴) manganese(II)]N,N-dimethylformamide(Yan et al., 2010), [Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-k²N³,O⁴)nickle(II)]N,N-dimethylformamide disolvate(Li et al., 2010a), Diaquabis(4-carboxy-2-propyl-1H-imidazole-5-carboxylato- k²N³,O⁴)copper(II) N,N-dimethylformamide disolvate(He et al., 2010), Diaquabis(5-carboxy-2-propyl-1H-imidazole- 4-carboxylato-k²N³,O⁴)nickle(II) tetrahedrate(Fan et al., 2010), Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato- k²N³,O⁴)-manganese(II) 3.5-hydrate(Li et al. 2010c), Diaquabis (5-carboxy-2-propyl-1H-imidazole-4-carboxylato-K²N³,O⁴)zinc(II) 3.5-hydrate(Li et al. 2010b), Diaquabis(5-carboxy-2-propyl-1H- imidazole-4-carboxylato-k²N³,O⁴)cadmium(II) 3.5-hydrate (Li et al. 2010d), In this paper, we will report the synthesis and structure of a new Co^II complex based the same ligand.

As illustrated in figure 1, the title complex molecule is isomorphous with Ni(II), Mn(II) and Cu(II) analogs (Li et al., 2010a,b,c,d; Yan et al., 2010; He et al., 2010), Similar structural description applies to the present isomorphous complex.the Co^II cation lying on the inversion center, is six-coordinated CoN₂O₄ in a slightly distorted octahedral geometry, constructed by the two pairs of N and O atoms from H₂pimda in the equatorial plane, and two coordinate water O atoms occipying the axial position. The Co—O bond lengths and Co—N bond lengths, all of which are within the range of those observed for other Co complexes based on the similar ligand (Lu et al., 2008; Wang et al., 2004). Each H₃pimda adopts bidentate coordination mode to chelate Co^II atom through imidazole N atom and O atom from the protonated carboxyl group, the complex molecules and dimethylformamide solvent molecules are linked by extensive O—H···O and N—H···O hydrogen bonds into a two-dimensional supramolecular network parallel to (001).

Experimental

A mixture of Co(NO3)₂ (0.5 mmol, 0.06 g) and 2-propyl-1H-imidazole-4,5-dicarboxylic acid(0.5 mmol, 0.99 g) in 15 ml of DMF solution was sealed in an autoclave equipped with a Teflon liner (20 ml) and then heated at 413k for 3 days. Crystals of the title compound were obtained by slow evaporation of the solvent at room temperature.