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Volume 68 
Part 11 
Pages m1377-m1378  
November 2012  

Received 10 October 2012
Accepted 11 October 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.004 Å
R = 0.026
wR = 0.068
Data-to-parameter ratio = 14.6
Details
Open access

Bis(acetato-[kappa]2O,O')(4,4'-dimethyl-2,2'-bipyridine-[kappa]2N,N')zinc

aUniversidad Nacional de la Patagonia S.J.B. and Centro Nacional Patagonico, CONICET, Bvd. Alte. Brown 3700, 9120 Puerto Madryn, Chubut, Argentina,bDepartamento de Química Inorgánica, Analítica y Química, Física/INQUIMAE-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina,cLaboratorio de Cristalografía, Difracción de Rayos-X, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile. Av. Blanco Encalada 2008, Santiago, Chile, and dGerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina
Correspondence e-mail: unharvey@cenpat.edu.ar

The molecular structure of the title compound, [Zn(CH3COO)2(C12H12N2)], consists of isolated molecules bisected by a twofold rotation axis which goes through the ZnII cation and halves the organic base through the central C-C bond. The ZnII ion is coordinated by two N atoms from one molecule of the aromatic base and four O atoms from two bidentate, symmetry-related acetate anions, which coordinate asymmetrically [Zn-O distances of 2.058 (2) and 2.362 (3) Å], while the two Zn-N bond distances are equal as imposed by symmetry [2.079 (2) Å]. The crystal structure is supported by a number of weak C-H...O interactions and C-H...[pi] contacts, with no [pi]-[pi] interactions present, mainly hindered by the substituent methyl groups and the relative molecular orientation. The result is a three-dimensional structure in which each molecule is linked to eight different neighbors.

Related literature

For properties of polypyridyl compounds, see: Steed & Atwood (2009[Steed, J. W. & Atwood, J. L. (2009). Supramolecular Chemistry, 2nd. ed., pp. 710-718. New York: John Wiley & Sons.]). For related structures, see: Barquín et al. (2010[Barquín, M., Cocera, N., González Garmendia, M. J., Larrínaga, L., Pinilla, E., Seco, J. M. & Torres, M. R. (2010). Inorg. Chim. Acta, 363, 127-133.]). For details of the vectorial bond-valence model, see Harvey et al. (2006[Harvey, M. A., Baggio, S. & Baggio, R. (2006). Acta Cryst. B62, 1038-1042.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C2H3O2)2(C12H12N2)]

  • Mr = 367.71

  • Orthorhombic, F d d 2

  • a = 14.4779 (5) Å

  • b = 28.5700 (15) Å

  • c = 8.0854 (3) Å

  • V = 3344.4 (2) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 1.49 mm-1

  • T = 295 K

  • 0.3 × 0.3 × 0.2 mm

Data collection
  • Oxford Diffraction Gemini CCD S Ultra diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]) Tmin = 0.65, Tmax = 0.75

  • 3945 measured reflections

  • 1563 independent reflections

  • 1481 reflections with I > 2[sigma](I)

  • Rint = 0.015

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.068

  • S = 1.09

  • 1563 reflections

  • 107 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.28 e Å-3

  • [Delta][rho]min = -0.26 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 374 Friedel pairs

  • Flack parameter: 0.010 (16)

Table 1
Hydrogen-bond geometry (Å, °)

Cg1 and Cg2 are the centroids of the Zn1,O1,C7,O2 and N1,C1-C5 rings, respectively.

D-H...A D-H H...A D...A D-H...A
C2-H2...O1i 0.93 2.53 3.354 (4) 147
C6-H6A...O2ii 0.96 2.56 3.438 (4) 153
C4-H4...Cg1iii 0.93 2.99 3.874 (4) 160
C4-H4...Cg1ii 0.93 2.96 3.766 (4) 145
C8-H8B...Cg2iv 0.96 2.96 3.804 (4) 147
Symmetry codes: (i) [x+{\script{1\over 4}}, -y+{\script{1\over 4}}, z+{\script{1\over 4}}]; (ii) -x, -y, z+1; (iii) x, y, z+1; (iv) [x-{\script{1\over 2}}, y, z-{\script{1\over 2}}].

Data collection: CrysAlis PRO (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2009)[Spek, A. L. (2009). Acta Cryst. D65, 148-155.].


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2212 ).


Acknowledgements

We would like to thank the Spanish Research Council (CSIC) for providing us with a free-of charge licence to the CSD System (Allen, 2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]). FONCyT grant PME-01113 (XRD) is gratefully acknowledged.

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [ISI] [CrossRef] [details]
Barquín, M., Cocera, N., González Garmendia, M. J., Larrínaga, L., Pinilla, E., Seco, J. M. & Torres, M. R. (2010). Inorg. Chim. Acta, 363, 127-133.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Harvey, M. A., Baggio, S. & Baggio, R. (2006). Acta Cryst. B62, 1038-1042.  [ISI] [CrossRef] [details]
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Steed, J. W. & Atwood, J. L. (2009). Supramolecular Chemistry, 2nd. ed., pp. 710-718. New York: John Wiley & Sons.


Acta Cryst (2012). E68, m1377-m1378   [ doi:10.1107/S1600536812042699 ]

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