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Volume 69 
Part 5 
Pages m281-m282  
May 2013  

Received 20 March 2013
Accepted 11 April 2013
Online 20 April 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.003 Å
R = 0.029
wR = 0.066
Data-to-parameter ratio = 17.5
Details
Open access

Diethyl([mu]3-2-methyl-4-oxo-4H-pyran-3-olato-[kappa]4O3,O4:O3:O3)tris([mu]2-2-methyl-4-oxo-4H-pyran-3-olato-[kappa]3O3,O4:O3)trizinc toluene disolvate

aFaculty of Chemistry, University of Wroclaw, 50-383 Wroclaw, 14 F. Joliot-Curie, Poland
Correspondence e-mail: piotr.sobota@chem.uni.wroc.pl

The title compound, [Zn3(C2H5)2(C6H5O3)4]·2C7H8, crystallizes with one complex molecule solvated by two molecules of toluene in the asymmetric unit. The ZnII ions are coordinated by two terminal ethyl (Et) groups and four maltolate ligands, which act as [mu]3- and [mu]2-bridges. The metal atoms are arranged in an incomplete cubane Zn3O4 core structure, derived from one EtZnO3 tetrahedron, one EtZnO4 bipyramid and one ZnO6 octahedron, sharing common corners. The structure is stabilized by weak C-H...O and C-H...[pi] interactions.

Related literature

For general background to zinc-maltolate complexes, see: Ahmed et al. (2000[Ahmed, S. I., Burgess, J., Fawcett, J., Parsons, S. A., Russell, D. R. & Laurie, S. H. (2000). Polyhedron, 19, 129-135.]); Petrus & Sobota (2012a[Petrus, R. & Sobota, P. (2012a). Organometallics, 31, 4755-4762.],b[Petrus, R. & Sobota, P. (2012b). Acta Cryst. C68, m275-m280.]). For biological activity, see: Thompson et al. (2004[Thompson, K. H., Chiles, J., Yuen, V. G., Tse, J., McNeill, J. H. & Orvig, C. (2004). J. Inorg. Biochem. 98, 683-690.], 2006[Thompson, K. H., Barta, C. A. & Orvig, C. (2006). Chem. Soc. Rev. 35, 545-556.]). For ring-opening polymerization of cyclic esters, see: Chamberlain et al. (2001[Chamberlain, B. M., Cheng, M., Moore, D. R., Ovitt, T. M., Lobkovsky, E. B. & Coates, G. W. (2001). J. Am. Chem. Soc. 123, 3229-3238.]). For material chemistry, see: Boyle et al. (2004[Boyle, T. J., Bunge, S. D., Andrews, N. L., Matzen, L. E., Sieg, K., Rodriguez, M. A. & Headley, T. J. (2004). Chem. Mater. 16, 3279-3288.]); Kaplunov et al. (2012[Kaplunov, M. G., Nikitenko, S. N. & Krasnikova, S. S. (2012). Nanoscale Res. Lett. 7, 206-214.]). For incomplete cubane Zn3O4 core topology, see: Maxim et al. (2008[Maxim, C., Pasatoiu, T. D., Kravtsov, V. Ch., Shova, S., Muryn, C. A., Winpenny, R. E. P., Tuna, F. & Andruh, M. (2008). Inorg. Chim. Acta, 361, 3903-3911.]); Romero et al. (2010[Romero, M. J., Pedrido, R., González-Noya, A. M., Martínez-Calvo, M., Zaragoza, G. & Bermejo, M. R. (2010). Chem. Commun. 46, 5115-5117.]). For the continuous shape measure, see: Alvarez et al. (2002[Alvarez, S., Avnir, D., Llunell, M. & Pinsky, M. (2002). New J. Chem. 26, 996-1009.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn3(C2H5)2(C6H5O3)4]·2C7H8

  • Mr = 938.96

  • Monoclinic, P 21 /n

  • a = 10.125 (3) Å

  • b = 11.949 (4) Å

  • c = 34.653 (6) Å

  • [beta] = 90.20 (2)°

  • V = 4192 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.76 mm-1

  • T = 100 K

  • 0.43 × 0.37 × 0.09 mm

Data collection
  • KUMA KM4 CCD [kappa]-geometry diffractometer

  • Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED in Xcalibur PX Software. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]) Tmin = 0.580, Tmax = 0.883

  • 45983 measured reflections

  • 9131 independent reflections

  • 7444 reflections with I > 2[sigma](I)

  • Rint = 0.042

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.066

  • S = 1.04

  • 9131 reflections

  • 521 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Selected bond lengths (Å)

Zn1-C1 1.971 (2)
Zn1-O3 2.0293 (14)
Zn1-O11 2.0077 (15)
Zn1-O17 2.0675 (14)
Zn2-C9 1.981 (2)
Zn2-O11 2.0943 (14)
Zn2-O12 2.1109 (15)
Zn2-O23 2.0193 (14)
Zn2-O3 2.6270 (15)
Zn3-O3 2.1060 (14)
Zn3-O4 2.0802 (15)
Zn3-O23 2.0759 (15)
Zn3-O24 2.0729 (14)
Zn3-O17 2.1439 (15)
Zn3-O18 2.1081 (15)

Table 2
Hydrogen-bond geometry (Å, °)

Cg1 and Cg2 denote the centroids of the C29-C34 and C36-C41 rings, respectively.

D-H...A D-H H...A D...A D-H...A
C6-H6...Cg1i 0.95 2.53 3.477 (3) 172
C14-H14...O24ii 0.95 2.39 3.286 (3) 156
C20-H20...O17iii 0.95 2.40 3.332 (3) 166
C26-H26...O18iv 0.95 2.33 3.167 (3) 146
C28-H28B...Cg2v 0.98 2.72 3.411 (3) 128
Symmetry codes: (i) -x, -y+1, -z; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) [-x-{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (v) x-1, y+1, z.

Data collection: CrysAlis CCD (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED in Xcalibur PX Software. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED in Xcalibur PX Software. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: OLEX2 (Dolomanov et al., 2009[Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: AA2088 ).


Acknowledgements

This work was supported by the Polish Ministry of Sciences and Higher Education (grant No. N N209 027 940) and the European Social Funds (ESF) in the areas of Human Capital Strategy Program and the Marshal's Office of Lower Silesia.

References

Ahmed, S. I., Burgess, J., Fawcett, J., Parsons, S. A., Russell, D. R. & Laurie, S. H. (2000). Polyhedron, 19, 129-135.  [ISI] [CSD] [CrossRef] [ChemPort]
Alvarez, S., Avnir, D., Llunell, M. & Pinsky, M. (2002). New J. Chem. 26, 996-1009.  [CrossRef] [ChemPort]
Boyle, T. J., Bunge, S. D., Andrews, N. L., Matzen, L. E., Sieg, K., Rodriguez, M. A. & Headley, T. J. (2004). Chem. Mater. 16, 3279-3288.  [ISI] [CSD] [CrossRef] [ChemPort]
Chamberlain, B. M., Cheng, M., Moore, D. R., Ovitt, T. M., Lobkovsky, E. B. & Coates, G. W. (2001). J. Am. Chem. Soc. 123, 3229-3238.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.  [ISI] [CrossRef] [ChemPort] [details]
Kaplunov, M. G., Nikitenko, S. N. & Krasnikova, S. S. (2012). Nanoscale Res. Lett. 7, 206-214.  [CrossRef] [ChemPort] [PubMed]
Maxim, C., Pasatoiu, T. D., Kravtsov, V. Ch., Shova, S., Muryn, C. A., Winpenny, R. E. P., Tuna, F. & Andruh, M. (2008). Inorg. Chim. Acta, 361, 3903-3911.  [ISI] [CSD] [CrossRef] [ChemPort]
Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED in Xcalibur PX Software. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.
Petrus, R. & Sobota, P. (2012a). Organometallics, 31, 4755-4762.  [CSD] [CrossRef] [ChemPort]
Petrus, R. & Sobota, P. (2012b). Acta Cryst. C68, m275-m280.  [CSD] [CrossRef] [ChemPort] [details]
Romero, M. J., Pedrido, R., González-Noya, A. M., Martínez-Calvo, M., Zaragoza, G. & Bermejo, M. R. (2010). Chem. Commun. 46, 5115-5117.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Thompson, K. H., Barta, C. A. & Orvig, C. (2006). Chem. Soc. Rev. 35, 545-556.  [ISI] [CrossRef] [PubMed] [ChemPort]
Thompson, K. H., Chiles, J., Yuen, V. G., Tse, J., McNeill, J. H. & Orvig, C. (2004). J. Inorg. Biochem. 98, 683-690.  [ISI] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m281-m282   [ doi:10.1107/S1600536813010064 ]

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