Home Crystal structure of catena-poly[triaqua-(μ2-5-methoxy-isophthalato-κ2O:O′)copper(II)], C9H12CuO8
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Crystal structure of catena-poly[triaqua-(μ2-5-methoxy-isophthalato-κ2O:O′)copper(II)], C9H12CuO8

  • Ying Zhao EMAIL logo , Xiao-Xia Wu and San-Tai Wang
Published/Copyright: September 20, 2018

Abstract

[Cu(C9H6O5)(H2O)3], monoclinic, C2/c (no. 15), a = 21.678(13) Å, b = 9.071(6) Å, c = 13.786(9) Å, β = 122.738(7)°, V = 2280(2) Å3, Z = 8, Rgt(F) = 0.0613, wRref(F2) = 0.1682, T = 296(2) K.

CCDC no.: 1863959

Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Clear light blue block
Size:0.18 × 0.14 × 0.08 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:1.95 mm−1
Diffractometer, scan mode:APEX, φ and ω
θmax, completeness:25.5°, >99%
N(hkl)measured, N(hkl)unique, Rint:6795, 2109, 0.099
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 1272
N(param)refined:164
Programs:SHELX [1], Bruker [2]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

AtomxyzUiso*/Ueq
Cu10.21571(4)0.62617(9)0.31273(7)0.0307(3)
O10.1269(2)0.7407(5)0.2367(4)0.0391(13)
O20.1892(3)0.9408(6)0.3315(4)0.0412(13)
O3−0.1939(2)0.9834(5)−0.1023(4)0.0352(12)
O4−0.1425(3)0.7658(5)−0.0304(4)0.0385(13)
O50.0120(3)1.3510(5)0.1432(5)0.0457(14)
O60.2021(3)0.5901(5)0.4416(4)0.0362(12)
H6A0.17110.64420.44440.054*
H6B0.24370.57770.50360.054*
O70.1579(3)0.4161(5)0.2124(4)0.0418(13)
H7A0.11770.40360.20810.063*
H7B0.17410.39190.17050.063*
O80.2327(3)0.6728(5)0.1864(4)0.0388(13)
H8A0.25250.75730.19820.058*
H8B0.25860.60090.18850.058*
C10.1307(4)0.8781(8)0.2585(5)0.0313(16)
C20.0617(3)0.9645(7)0.1890(5)0.0258(15)
C30.0641(4)1.1180(7)0.1988(5)0.0287(15)
H30.10781.16450.25230.034*
C40.0023(4)1.2004(7)0.1299(6)0.0329(17)
C5−0.0641(4)1.1343(8)0.0537(5)0.0307(16)
H5−0.10591.19100.00790.037*
C6−0.0676(3)0.9795(7)0.0468(5)0.0252(15)
C7−0.0047(4)0.8976(7)0.1138(6)0.0296(16)
H7−0.00710.79530.10810.035*
C8−0.1393(4)0.9039(8)−0.0343(5)0.0302(17)
C9−0.0511(5)1.4406(9)0.0828(9)0.084(4)
H9A−0.07341.42770.00130.125*
H9B−0.03751.54210.10270.125*
H9C−0.08541.41300.10330.125*

Source of material

A mixture of 5-methoxyisophthalic acid (19.6 mg, 0.1 mmol), a small amount of a base and Cu(OAc)2⋅2 H2O (19.9 mg, 0.1 mmol) were added to water (9 mL) in a 25 mL Teflon-lined autoclave. The mixture was heated at 413 K for 3 days and then slowly cooled down to room temperature. Blue block crystals of the title compound were obtained.

Comment

The construction of novel molecule-based coordination polymers (CPs) with one-dimensional chains to two- or three-dimensional networks has received remarkable attention, not only for understanding the fundamental scientific laws underlying the coordination behaviors of molecular systems, but also for developing applications in many fields [3], [4], [5], [6], [7]. Some organic ligands aryl-multicarboxylate are selected as multifunctional ligands, because they can adopt a variety of coordination modes when they react with metal salts to form metal complexes with various multidimensional architectures [8], [9], [10].

Each Cu1 center is surrounded by five oxygen atoms (Cu(1)—O(1) = 1.924(5), Cu(1)—O(3)#1 = 1.928(4), Cu(1)—O(6) = 1.979(5), Cu(1)—O(8) = 2.011(5), Cu(1)—O(7) = 2.289(5); symmetry codes: #1 x + 1/2, −y + 3/2, z + 1/2) from two different CH3O-ip ligands and three coordinated water molecules, forming a CuO5 distorted trigonal bipyramid. Each CH3O-ip in the title complex adopts a bridging coordination mode to connect two adjacent copper ions to a chain (cf. the figure). The one-dimensional chains are then linked by hydrogen bonding to result in a three-dimensional network structure. All water ligands are involved in hydrogen bonding interactions in this framework.

Acknowledgements

This work was supported financially by key scientific research projects of higher education of He’nan Province (19A150034).

References

Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Search in Google Scholar PubMed

Bruker. SADABS, APEX, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA (2007).Search in Google Scholar

Ghosh, S. K.; Bharadwaj, P. K.: Puckered-boat conformation hexameric water clusters stabilized in a 2D metal-organic framework structure built from Cu(II) and 1,2,4,5-benzenetetracarboxylic acid. Inorg. Chem. 43 (2004) 5180–5182.10.1021/ic049739qSearch in Google Scholar PubMed

Nicola, C. D.; Karabach, Y. Y.; Kirillov, A. M.; Monari, M.; Pandolfo, L.; Pettinari, C.; Pombeiro, A. J. L.: Supramolecular assemblies of trinuclear triangular copper(II) secondary building units through hydrogen bonds. generation of different metal-organic frameworks, valuable catalysts for peroxidative oxidation of alkanes. Inorg. Chem. 46 (2007) 221–230.10.1021/ic061595nSearch in Google Scholar

Ma, L.-F.; Liu, B.; Wang, L.-Y.; Li, C.-P.; Du, M.: Copper(II) 5-methoxyisophthalate coordination polymers incorporating dipyridyl co-ligands: syntheses, crystal structures, and magnetic properties. Dalton Trans. 39 (2010) 2301–2308.10.1039/b920308gSearch in Google Scholar PubMed

Chang, X.-H.; Qin, J.-H.; Han, M.-L.; Ma, L.-F.; Wang, L.-Y.: Exploring the structural diversities and magnetic properties of copper(II) and manganese(II) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands. CrystEngComm 16 (2016) 870–878.10.1039/C3CE41641KSearch in Google Scholar

Ma, L.-F.; Zhao, J.-W.; Han, M.-L.; Wang, L.-Y.; Du, M.: Two novel 3-D coordination polymers with 5-methoxyisophthalate and flexible N-donor co-ligands showing pentanuclear or alternate mono/binuclear Cu(II) units. Dalton Trans. 41 (2012) 2078–2083.10.1039/C1DT11206FSearch in Google Scholar

Zhou, D.-S.; Wang, F.-K.; Yang, S.-Y.; Xie, Z.-X.; Huang, R. B.: Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives. CrystEngComm 11 (2009) 2548–2554.10.1039/b907142cSearch in Google Scholar

Ma, L.-F.; Wang, L.-Y.; Wang, Y.-Y.; Batten, S. R.; Wang, J.-G.: Self-assembly of a series of cobalt(II) coordination polymers constructed from H2tbip and dipyridyl-based ligands. Inorg. Chem. 48 (2009) 915–924.10.1021/ic801278jSearch in Google Scholar PubMed

Ma, L.-F.; Wang, L.-Y.; Du, M.; Batten, S. R.: Unprecedented 4- and 6-connected 2D coordination networks based on 4(4)-subnet tectons, showing unusual supramolecular motifs of rotaxane and helix. Inorg. Chem. 49 (2010) 365–367.10.1021/ic9019298Search in Google Scholar PubMed

Received: 2018-03-26
Accepted: 2018-08-26
Published Online: 2018-09-20
Published in Print: 2018-12-19

©2018 Ying Zhao et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

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