Diaqua­bis­[1,2-bis­(pyridin-4-yl)ethene]­bis­[2-(4-carboxy­phen­yl)acetato]­cobalt(II)

Wei-Hua Yu; Jian-Lan Liu; Xiao-Ming Ren

doi:10.1107/S1600536811024755

. 2011 Jun 30;67(Pt 7):m999. doi: 10.1107/S1600536811024755

Diaquabis[1,2-bis(pyridin-4-yl)ethene]bis[2-(4-carboxyphenyl)acetato]cobalt(II)

Wei-Hua Yu ^a, Jian-Lan Liu ^a, Xiao-Ming Ren ^a,^*

PMCID: PMC3152052 PMID: 21836970

Abstract

The asymmetric unit of the title compound, [Co(C₉H₇O₄)₂(C₁₂H₁₀N₂)₂(H₂O)₂], consists of one Co²⁺ ion, one mono-deprotonated 2-(4-carboxylatophenyl)acetate carboxylic acid, one 1,2-bis(pyridin-4-yl)ethane molecule and one water molecule. The Co^II atom is situated on a crystallographic center of inversion and is octahedrally coordinated by two O atoms from two anions, two N atoms of two 1,2-bis(pyridin-4-yl)ethane molecules and two O atoms from two water molecules. A three-dimensional network is established by intermolecular O—H⋯O and O—H⋯N hydrogen bonds.

Related literature

For general background to the design of metal-organic supramolecular solids with potential functionality, see: Moulton & Zaworotko (2001 ▶); Janiak (2003 ▶). For weak non-covalent interactions in supramolecular solids, see: Hosseini (2005 ▶); Nishio (2004 ▶). For metal-organic supramolecular frameworks based on organic connectors containing pyridyl and/or carboxylate groups, see: Brammer (2004 ▶).

Experimental

Crystal data

[Co(C₉H₇O₄)₂(C₁₂H₁₀N₂)₂(H₂O)₂]
M _r = 817.69
Monoclinic,
a = 21.349 (5) Å
b = 5.6522 (12) Å
c = 15.659 (4) Å
β = 98.999 (4)°
V = 1866.3 (7) Å³
Z = 2
Mo Kα radiation
μ = 0.53 mm⁻¹
T = 293 K
0.40 × 0.30 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T _min = 0.850, T _max = 0.874
9499 measured reflections
3635 independent reflections
2640 reflections with I > 2σ(I)
R _int = 0.041

Refinement

R[F ² > 2σ(F ²)] = 0.055
wR(F ²) = 0.105
S = 1.06
3635 reflections
268 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.71 e Å⁻³
Δρ_min = −0.36 e Å⁻³

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); 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 datablock(s) global, I. DOI: 10.1107/S1600536811024755/im2300sup1.cif

e-67-0m999-sup1.cif^{(19.1KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811024755/im2300Isup2.hkl

e-67-0m999-Isup2.hkl^{(178.2KB, 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—H5C⋯O1ⁱ	0.73 (4)	2.13 (4)	2.822 (3)	158 (4)
O5—H5D⋯O2ⁱⁱ	0.98 (4)	1.74 (4)	2.610 (3)	145 (3)
O3—H3⋯N2ⁱⁱⁱ	0.82	1.85	2.667 (3)	173

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

Acknowledgments

The authors thank Nanjing Xiaozhuang College of China for financial support (grant No. 2007NXY31).

supplementary crystallographic information

Comment

During the past decade, the design of new metal-organic supramolecular solids has attracted ever-increasing focus in the fields of coordination chemistry and crystal engineering, for the sake of developing desired crystalline materials with potential functionality (Moulton & Zaworotko, 2001; Janiak et al., 2003). Furthermore, it has been realised that weak noncovalent interactions such as hydrogen bonds, aromatic stacking, and van der Waals forces (Hosseini, 2005; Nishio, 2004) are crucial in the direction of such crystalline architectures. Hitherto, a variety of organic connectors containing pyridyl and/or carboxylate groups (Brammer, 2004) have been widely used to construct metal-organic supramolecular frameworks. Herein we report the crystal structure of the title compound (1).

The molecular structure of (1) is illustrated in Fig. 1. Compound (1) crystallizes in the monoclinic space group P2₁/c. The structure of (1) is a single molecule, in which the Co²⁺ center is situated on a crystallographic center of inversion. The coordination sphere of cobalt is a slightly distorted octahedron and consistes of by two O atoms from two mono-deprotonated (4-carboxyphenyl)acetate groups, two N atoms of two 1,2-di(pyridin-4-yl)ethane molecules and two O atoms from two water molecules. As shown in Fig. 2, a one-dimensional chain is formed by O–H···N hydrogen bonds. In addition, these one-dimensional chains are linked together by additional O—H···O hydrogen bonds between water molecules and the cobalt bound carboxylate group generating a three-dimensional framework.

Experimental

Cobalt chloride hexahydrate (1 mmol), 1,2-di(pyridin-4-yl)ethane (1 mmol) and (4-carboxyphenyl)acetic acid (1 mmol) in water (8 ml) were placed in a Teflon-lined stainless-steel Parr bomb that was heated to 433 K for 48 h. Red plate crystals were collected after the bomb was subsequently allowed to cool to room temperature (yield: 38%).