catena-Poly[(aqua­dimethano­lzinc)-μ-furan-2,5-dicarboxyl­ato-κ3 O 2:O 2,O 2′]

Ya-Feng Li; Yue Gao; Yue Xu; Xiao-Lin Qin; Wen-Yuan Gao

doi:10.1107/S1600536812014936

. 2012 Apr 13;68(Pt 5):m595. doi: 10.1107/S1600536812014936

catena-Poly[(aquadimethanolzinc)-μ-furan-2,5-dicarboxylato-κ³ O ²:O ²,O ^2′]

Ya-Feng Li ^a,^*, Yue Gao ^a, Yue Xu ^a, Xiao-Lin Qin ^a, Wen-Yuan Gao ^a

PMCID: PMC3344337 PMID: 22590103

Abstract

In the crystal structure of the title compound, [Zn(C₆H₂O₅)(CH₃OH)₂(H₂O)]_n, an infinite chain is formed along the b axis by linking of the Zn(OH₂)(CH₃OH)₂ unit with one carboxylate group of the furan-2,5-dicarboxylate ligand. The Zn^II ion is in a distorted octahedral environment with one weak coordination [Zn—O_carboxylate = 2.565 (3) Å] and two methanol molecules located in axial positions. In the chain, O_water—H⋯O hydrogen bonds are present, while adjacent chains are linked by O_methanol—H⋯O hydrogen bonds into a layer parallel to (10-2).

Related literature

For applications and structures of metal-organic framework materials, see: Chui et al. (1999 ▶); Corma et al. (2010 ▶); Ferey (2008 ▶); Li et al. (1999 ▶, 2012a ▶,b ▶); Ma et al. (2009 ▶); Murray et al. (2009 ▶); Tranchemontagne et al. (2009 ▶).

Experimental

Crystal data

[Zn(C₆H₂O₅)(CH₄O)₂(H₂O)]
M _r = 301.57
Monoclinic,
a = 10.077 (2) Å
b = 8.1235 (16) Å
c = 17.101 (3) Å
β = 124.86 (3)°
V = 1148.7 (6) Å³
Z = 4
Mo Kα radiation
μ = 2.17 mm⁻¹
T = 293 K
0.10 × 0.10 × 0.10 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T _min = 0.813, T _max = 0.813
10467 measured reflections
2605 independent reflections
1593 reflections with I > 2σ(I)
R _int = 0.119

Refinement

R[F ² > 2σ(F ²)] = 0.062
wR(F ²) = 0.142
S = 1.01
2605 reflections
168 parameters
5 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.61 e Å⁻³
Δρ_min = −0.71 e Å⁻³

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2000 ▶); software used to prepare material for publication: SHELXL97.

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812014936/is5106sup1.cif

e-68-0m595-sup1.cif^{(21.4KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812014936/is5106Isup2.hkl

e-68-0m595-Isup2.hkl^{(128KB, 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—H1A⋯O1ⁱ	0.83 (2)	1.92 (2)	2.745 (5)	171 (5)
O1W—H1B⋯O5ⁱⁱ	0.83 (2)	1.76 (2)	2.571 (5)	165 (5)
O7—H7⋯O4ⁱⁱⁱ	0.82 (2)	1.86 (3)	2.639 (5)	158 (6)
O8—H8⋯O4^iv	0.82 (2)	1.88 (3)	2.682 (5)	163 (6)

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

Acknowledgments

This project was sponsored by the Scientific Research Foundation for the Returned Overseas Team, Chinese Education Ministry.

supplementary crystallographic information

Comment

During past decades, more efforts have made to construct the metal organic framework (MOF) materials due to the potential applications including gas absorption and catalyst reactions (Ma et al., 2009; Murray et al., 2009; Corma et al., 2010). The more attentions have been focused on the MOF based on the phenyl ring with carboxylate groups (Chui et al., 1999; Li et al., 1999; Ferey, 2008; Tranchemontagne et al., 2009). Compared with phenyl ring with carboxylate groups, the 5-membered rings with carboxylate groups as the ligand are rarely studied. Recently, we utilize furan-2,5-dicarboxyl acid as the ligand to constructed the MOFs (Li et al., 2012a,b). In this work, a novel chainlike compound, [Zn(C₆H₂O₅)(H₂O)(CH₃OH)₂]_n, (I), is structurally determined.

The asymmetric unit of (I) contains one Zn^II cation, one furan-2,5-dicarboxylate anion, one water and two methanol molecules (Fig. 1). The Zn^II cation is coordinated by three carboxylate O atoms, one water molecule and two methanol molecules which locate at the axial positions, exhibiting a distorted octahedron. The oxygen of carboxylate [Zn—O_carboxylate = 2.565 (2) Å] is very weakly ligated to the Zn cation. If excluding this oxygen, the Zn^II ion displays a distorted triganol bipyramid geometry but the chain property may not be changed. Only one carboxyl of furan-2,5-dicarboxylate involves in the formation of infinite chain. The carboxyl shows a µ₂:η¹,η² coordinated mode.

The Zn^II cations are linked by one carboxylate of furan-2,5-dicarboxylate to give rise to an infinite chain (Fig. 2). O_water–H···O hydrogen bonds are intra-chain interactions, while O_methanol–H···O hydrogen bonds inter-chain interactions which are responsible to link the adjacent chains into a layer parallel to the (102) plane (Fig. 3).

Experimental

In a typically synthesized route of (I), furan-2,5-dicarboxyl acid (0.312 g, 2.0 mmol) and Zn(NO₃)₂^.6H₂O (0.592 g, 2.0 mmol) were dissolved in DMF (7.8 ml, 0.1 mol) under stirring. Then, 72 ml methanol ann N(et)₃ (0.29 ml, 2.0 mmol) were successively added. The mixture with molar ratio of 1 (furan-2,5-dicarboxyl acid): 1 (Zn(NO₃)₂^.6H₂O): 1 (N(et)₃) was laid under room temperature for 4 days. The colorless block product was collected as a single phase.