catena-Poly[[aqua­(1,10-phenanthroline)cobalt(II)]-μ-4,4′-(propane-1,3-diyldi­oxy)dibenzoato]

Su-Mei Shen

doi:10.1107/S1600536809035089

. 2009 Sep 5;65(Pt 10):m1164. doi: 10.1107/S1600536809035089

catena-Poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ-4,4′-(propane-1,3-diyldioxy)dibenzoato]

Su-Mei Shen ^a,^*

PMCID: PMC2970340 PMID: 21577702

Abstract

In the title compound, [Co(C₁₇H₁₄O₆)(C₁₂H₈N₂)(H₂O)]_n, the Co^II atom is coordinated by a monodentate 4,4′-(propane-1,3-diyldioxy)dibenzoate (cpp) dianion, a water molecule and a chelating 1,10-phenanthroline (phen) ligand. A symmetry-generated cpp ligand completes the CoN₂O₃ trigonal-bipyramidal geometry for the metal ion, with the N atoms occupying both equatorial and axial sites. The bridging cpp ligands form chains propagating in [110] and O—H⋯O hydrogen bonds consolidate the packing.

Related literature

For a related structure, see: Chen & Liu (2002 ▶). For background to metal-organic frameworks, see: Kitagawa et al. (2004 ▶); Liu et al. (2009 ▶); Schokecht & Kempe (2004 ▶).

Experimental

Crystal data

[Co(C₁₇H₁₄O₆)(C₁₂H₈N₂)(H₂O)]
M _r = 571.43
Triclinic,
a = 8.5967 (17) Å
b = 11.432 (2) Å
c = 14.423 (3) Å
α = 68.433 (3)°
β = 87.673 (4)°
γ = 74.635 (4)°
V = 1268.5 (4) Å³
Z = 2
Mo Kα radiation
μ = 0.73 mm⁻¹
T = 298 K
0.23 × 0.14 × 0.11 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T _min = 0.850, T _max = 0.924
6503 measured reflections
4499 independent reflections
2242 reflections with I > 2σ(I)
R _int = 0.032

Refinement

R[F ² > 2σ(F ²)] = 0.039
wR(F ²) = 0.063
S = 0.91
4499 reflections
358 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.19 e Å⁻³
Δρ_min = −0.21 e Å⁻³

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPIII (Burnett & Johnson, 1996 ▶), ORTEP-3 for Windows (Farrugia, 1997 ▶) and PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXL97.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809035089/hb5085sup1.cif

e-65-m1164-sup1.cif^{(21.6KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809035089/hb5085Isup2.hkl

e-65-m1164-Isup2.hkl^{(220.4KB, 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—H1WB⋯O2ⁱ	0.885 (15)	1.847 (16)	2.729 (3)	175 (3)
O1W—H1WA⋯O5ⁱⁱ	0.885 (17)	1.804 (17)	2.657 (3)	161 (3)

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

Acknowledgments

The authors are grateful to the Zhejiang Economic and Trade Polytechnic for financial support.

supplementary crystallographic information

Comment

Design of effective ligands and the proper choice of metal centers are the keys to design and construct novel metal-organic frameworks (Kitagawa et al., 2004; Schokecht & Kempe, 2004). Polycarboxylate ligands have received considerable attention, owing to the variety of their coordination modes and structural features. 4,4'-(propane-1,3-diyldioxy)dibenzoic acid (H₂cpp) is a potential multi-dentate ligand with a versatile coordination mode, which has been used in self-asssembled porous coordination synthesis (Liu et al., 2009).

The title compound, (I), was constructed by two kinds of bridging and chelating ligands under mild condition, H₂cpp and phen which were self-assembled to a one-dimensional neutral metal-organic compound. In this paper, the crystal structure of (I) is presented.

As illustrated in Fig. 1, Co^II adopts a trigonal bispyramidal geometry, generated by three O atoms from two adjacent monodenated-chelating carboxylate groups and one coordinated water molecule, and two N atoms from one chelating phen ligand. The three atoms (O1, O1W and N3) in the basical plane around the Co atom, while the other two atoms (O6 and N4) locate at apical positions. The twist angle of two rings of cpp ligand is 96.8 (5)°.

The neighboring Co atoms are linked by cp ligands forming a one-dimensional chain running along a axis (Fig. 2). These chains are decorated with phen ligands alternating on two sides, which is similar with some complexes (Chen & Liu, 2002) There are no π-π interactions between rings of phen ligands due to its transplacement arrangement.

In the crystal structure, strong intermolecular O-H···O hydrogen bonds (Table 1) link the molecules into a 2D network, in which they may be effective in the stabilization of the structure.

Experimental

The followinf quantities were mixed: (23 mg, 0.1 mmol)) Co(NO₃)₂ of water solution (5 ml) and H₂CP (26 mg, 0.1 mmol), phen (0.19 mg, 0.1 mmol) and NaOH (3.8 mg, 0.09 mmol), CH₃CN (5 ml) and heated to at 428 K for 60 h in a pressurized reactor. Slow evaporation of this solution resulted in the formation of some pink blocks of (I).