catena-Poly[[[bis­[μ-3-(4-carb­oxy­phen­oxy)propionato]-κ3 O 1,O 1′:O 1;κ3 O 1:O 1,O 1′-bis­[aqua­(N,N-dimethyl­formamide-κO)cadmium]]-μ-4,4′-bipyridine-κ2 N:N′] dinitrate]

Shan Gao; Seik Weng Ng

doi:10.1107/S1600536812002991

. 2012 Jan 31;68(Pt 2):m214. doi: 10.1107/S1600536812002991

catena-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]-κ³ O ¹,O ^1′:O ¹;κ³ O ¹:O ¹,O ^1′-bis[aqua(N,N-dimethylformamide-κO)cadmium]]-μ-4,4′-bipyridine-κ² N:N′] dinitrate]

Shan Gao ^a, Seik Weng Ng ^b,^c,^*

PMCID: PMC3274930 PMID: 22346877

Abstract

In the title coordination polymer, {[Cd₂(C₁₀H₉O₅)₂(C₁₀H₈N₂)₂(C₃H₇NO)₂(H₂O)₂](NO₃)₂}_n, the 3-(4-carboxyphenoxy)propionate monoanion O,O′-chelates to a Cd^II cation through the aliphatic carboxylate end. One of these O atoms is also connected to the metal cation from an inversion-related metal atom. The five O atoms bonded to the metal centre form a pentagon, above and below which are located the N atoms of the 4,4′-bipyridine molecules. The polycationic ribbon propagates along the b axis of the unit cell. The (aromatic) carboxyl end of the monoanion connects adjacent ribbons into a layer motif in the (102) plane. The nitrate ions are hydrogen bonded to the layer. The geometry of the Cd^II atom is a trans-N₂O₅Cd pentagonal bipyramid.

Related literature

For 3-(4-carboxyphenoxy)propionic acid, see: Gao & Ng (2006 ▶).

Experimental

Crystal data

[Cd₂(C₁₀H₉O₅)₂(C₁₀H₈N₂)₂(C₃H₇NO)₂(H₂O)₂](NO₃)₂
M _r = 1261.76
Triclinic,
a = 9.1020 (5) Å
b = 11.6866 (5) Å
c = 13.3534 (5) Å
α = 69.1646 (11)°
β = 84.2052 (16)°
γ = 76.9358 (16)°
V = 1292.84 (10) Å³
Z = 1
Mo Kα radiation
μ = 0.91 mm⁻¹
T = 293 K
0.19 × 0.12 × 0.11 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T _min = 0.847, T _max = 0.907
12594 measured reflections
5822 independent reflections
4760 reflections with I > 2σ(I)
R _int = 0.031

Refinement

R[F ² > 2σ(F ²)] = 0.030
wR(F ²) = 0.077
S = 1.08
5822 reflections
345 parameters
H-atom parameters constrained
Δρ_max = 0.95 e Å⁻³
Δρ_min = −0.59 e Å⁻³

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Supplementary Material

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812002991/bt5796sup1.cif

e-68-0m214-sup1.cif^{(24.7KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812002991/bt5796Isup2.hkl

e-68-0m214-Isup2.hkl^{(285KB, 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—H5⋯O4ⁱ	0.84	1.80	2.629 (3)	171
O1W—H11⋯O7	0.84	1.94	2.754 (4)	164
O1W—H12⋯O2ⁱⁱ	0.84	2.03	2.763 (3)	145

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

Acknowledgments

This work is supported by the Key Project of the Natural Science Foundation of Heilongjiang Province (grant No. ZD200903), the Key Project of the Education Bureau of Heilongjiang Province (grants No. 12511z023, No. 2011CJHB006), the Innovation Team of the Education Bureau of Heilongjiang Province (grant No. 2010 t d03), Heilongjiang University (Hdtd2010–04) and the Ministry of Higher Education of Malaysia (grant No. UM.C/HIR/MOHE/SC/12).

supplementary crystallographic information

Comment

We reported the crystal structure of 3-(4-carboxyphenoxy)propropionic acid (Gao & Ng, 2006). We also reported the crystal structures of some metal derivatives. In the coordination polymer, [Cd₂(H₂O)₂(C₁₀H₈N₂)₂(DMF)₂(C₁₀H₈O₅)₂]_n 2n(NO₃) (Scheme I), the 3-(4-carboxyphenoxy)propionate monoanion O,O'-chelates to a Cd^II atom atom through the aliphatic (negatively-charged) carboxyl –CO₂ end; one of the O atoms is also connected to an inversion-related metal atom. The carboxyl O atoms, the carboxyl O atom of an inversion-related dianion, and the O atoms of the water and DMF molecules comprise a pentagon, above and below which are located the N atoms of the 4,4'-bipyridine heterocycle (Fig. 1). The polycationic ribbon propogates along the b-axis of the unit cell; the (aromatic) carboxylic acid end of the monoanion connects adjacent ribbons (Fig. 2) into a layer motif; the nitrate ions are hydrogen bonded to the layer (Table 1).

Experimental

Cadmium nitrate and 3-(4-carboxyphenoxy)propionic acid (1 mmol) were mixed in a water-DMF (3/1) mixture (10 ml). 4,4'-Bipyridine dissolved in methanol (5 ml) was added. The mixture was stirred until the reactants dissolved. Yellow crystals were isolated after a few days.