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Volume 69 
Part 2 
Page m96  
February 2013  

Received 30 November 2012
Accepted 7 January 2013
Online 12 January 2013

Key indicators
Single-crystal X-ray study
T = 183 K
Mean [sigma](C-C) = 0.004 Å
R = 0.032
wR = 0.082
Data-to-parameter ratio = 18.3
Details
Open access

Bis{2-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-1-ido}palladium(II)

aUniversity Koblenz-Landau, Institute for Integrated Natural Sciences, Universitätsstrasse 1, 56070 Koblenz, Germany
Correspondence e-mail: Imhof@uni-koblenz.de

The title compound, [Pd(C14H15N2)2], is a square-planar palladium complex composed of two deprotonated pyrrole-2-carbaldimine ligands coordinating a central PdII atom. In the crystal, three crystallographically independent complex molecules are observed, one of which is located in a general position, whereas the PdII atoms of the other molecules are situated on crystallographic inversion centers. The aromatic substituents at the imine N atoms in the three molecules show dihedral angles of 87.6 (7)/83.64 (7), 74.3 (7) and 88.3 (7)° with respect to the corresponding PdN4 plane.

Related literature

For structural analyses of the related ligand N-((1H-pyrrol-2-yl)methylene)aniline, see: Gomes et al. (2010[Gomes, C. S. B., Suresh, D., Gomes, P. T., Veiros, L. F., Duarte, M. T., Nunes, T. G. & Oliveira, M. C. (2010). Dalton Trans. 39, 736-748.]); Crestani et al. (2011[Crestani, M. G., Manbeck, G. F., Brennessel, W. W., McCormick, T. M. & Eisenberg, R. (2011). Inorg. Chem. 50, 7172-7188.]) and of of the free ligand N-((1H-pyrrol-2-yl)methylene)-2,4,6-trimethylaniline, see: Imhof (2013[Imhof, W. (2013). Acta Cryst. E69, o113.]). For the structure of the corresponding nickel complex, see: Anderson et al. (2006[Anderson, C. E., Batsanov, A. S., Dyer, P. W., Fawcett, J. & Howard, J. A. K. (2006). Dalton Trans. pp. 5362-5378.]), the closely related 2,6-dimethyl complex, see: Pérez-Puente et al. (2008[Pérez-Puente, P., de Jesús, E., Flores, J. C. & Gómez-Sal, P. (2008). J. Organomet. Chem. 693, 3902-3906.]), the closely related 2,6-diisopropyl complex, see: Liang et al. (2004[Liang, H., Liu, J., Li, X. & Li, Y. (2004). Polyhedron, 23, 1619-1627.]) and a related nickel complex with only one pyrrole-carbaldimine ligand, see: Bellabarba et al. (2003[Bellabarba, R. M., Gomes, P. T. & Pascu, S. I. (2003). Dalton Trans. pp. 4434-4436.]).

[Scheme 1]

Experimental

Crystal data
  • [Pd(C14H15N2)2]

  • Mr = 528.96

  • Triclinic, [P \overline 1]

  • a = 13.4342 (2) Å

  • b = 13.7395 (3) Å

  • c = 13.9932 (3) Å

  • [alpha] = 89.174 (11)°

  • [beta] = 77.075 (12)°

  • [gamma] = 77.159 (12)°

  • V = 2452.76 (19) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.78 mm-1

  • T = 183 K

  • 0.3 × 0.3 × 0.2 mm

Data collection
  • Nonius KappaCCD diffractometer

  • 18633 measured reflections

  • 11178 independent reflections

  • 9176 reflections with I > 2[sigma](I)

  • Rint = 0.025

Refinement
  • R[F2 > 2[sigma](F2)] = 0.032

  • wR(F2) = 0.082

  • S = 1.04

  • 11178 reflections

  • 610 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.17 e Å-3

  • [Delta][rho]min = -0.80 e Å-3

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT, Nonius BV, Delft, The Netherlands.]); cell refinement: DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO; 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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NC2300 ).


References

Anderson, C. E., Batsanov, A. S., Dyer, P. W., Fawcett, J. & Howard, J. A. K. (2006). Dalton Trans. pp. 5362-5378.  [CSD] [CrossRef]
Bellabarba, R. M., Gomes, P. T. & Pascu, S. I. (2003). Dalton Trans. pp. 4434-4436.
Crestani, M. G., Manbeck, G. F., Brennessel, W. W., McCormick, T. M. & Eisenberg, R. (2011). Inorg. Chem. 50, 7172-7188.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Gomes, C. S. B., Suresh, D., Gomes, P. T., Veiros, L. F., Duarte, M. T., Nunes, T. G. & Oliveira, M. C. (2010). Dalton Trans. 39, 736-748.  [CSD] [CrossRef] [ChemPort] [PubMed]
Imhof, W. (2013). Acta Cryst. E69, o113.  [CrossRef] [details]
Liang, H., Liu, J., Li, X. & Li, Y. (2004). Polyhedron, 23, 1619-1627.  [CSD] [CrossRef] [ChemPort]
Nonius (1998). COLLECT, Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Pérez-Puente, P., de Jesús, E., Flores, J. C. & Gómez-Sal, P. (2008). J. Organomet. Chem. 693, 3902-3906.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m96  [ doi:10.1107/S1600536813000573 ]

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