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Volume 69 
Part 1 
Page m15  
January 2013  

Received 11 November 2012
Accepted 21 November 2012
Online 8 December 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.017 Å
R = 0.063
wR = 0.170
Data-to-parameter ratio = 22.1
Details
Open access

[mu]-Azido-[kappa]2N1:N1-[mu]-chlorido-bis[(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-[kappa]2C1,N)palladium(II)] chloroform monosolvate

aInstituto de Fisica de Sao Carlos, Av. do Trabalhador Saocarlense, 400 Sao Carlos, SP, Brazil, and bInstituto de Quimica de Sao Carlos, Av. do Trabalhador Saocarlense, 400 Sao Carlos, SP, Brazil
Correspondence e-mail: mafud@usp.br

In the binuclear title complex, [Pd2(C11H13ClN)2Cl(N3)]·CHCl3, each PdII atom has a slightly distorted square-planar geometry being coordinated by a C and an N atom of the 2-chloro-3-dimethylamino-1-phenylpropyl ligand, a bridging Cl atom and an N atom of a bridging end-on azide group. There is a short intramolecular C-H...Cl contact in the complex molecule. In the crystal, the chloroform solvent molecule is linked to the complex via a C-H...[pi] interaction.

Related literature

For the crystal structures of similar compounds, see: Moro et al. (2004[Moro, A. C., Mauro, A. E. & Ananias, S. R. (2004). Eclet. Quím. 29, 57-61.]); Caires et al. (2006[Caires, A. C. F., Mauro, A. E., Moro, A. C., de Oliveira Legendre, A. & Ananias, S. R. (2006). Quím. Nova, 29, 750-754.]).

[Scheme 1]

Experimental

Crystal data
  • [Pd2(C11H13ClN)2Cl(N3)]·CHCl3

  • Mr = 799

  • Monoclinic, P 21 /c

  • a = 15.416 (3) Å

  • b = 11.474 (3) Å

  • c = 17.094 (4) Å

  • [beta] = 97.14 (2)°

  • V = 3000.2 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.76 mm-1

  • T = 293 K

  • 0.2 × 0.1 × 0.1 mm

Data collection
  • Enraf-Nonius TurboCAD4 diffractometer

  • Absorption correction: [psi] scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.691, Tmax = 0.832

  • 7536 measured reflections

  • 7278 independent reflections

  • 2686 reflections with I > 2[sigma](I)

  • Rint = 0.066

  • 3 standard reflections every 120 min intensity decay: 1%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.063

  • wR(F2) = 0.170

  • S = 0.93

  • 7278 reflections

  • 329 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.75 e Å-3

  • [Delta][rho]min = -0.60 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1 is the centroid of the C1A-C6A ring.

D-H...A D-H H...A D...A D-H...A
C11A-H11B...Cl1 0.96 2.74 3.299 (11) 118
C12-H12...Cg1i 0.98 2.77 3.713 (13) 163
Symmetry code: (i) -x+2, -y, -z+1.

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995[Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.]); 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: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2528 ).


Acknowledgements

We are extremely grateful to the late Professor Antonio Carlos Favero Caires for suppling us with the sample used, and to the CNPq National Council for Technological and Scientific Development for supporting this study.

References

Caires, A. C. F., Mauro, A. E., Moro, A. C., de Oliveira Legendre, A. & Ananias, S. R. (2006). Quím. Nova, 29, 750-754.  [CrossRef] [ChemPort]
Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Moro, A. C., Mauro, A. E. & Ananias, S. R. (2004). Eclet. Quím. 29, 57-61.  [ChemPort]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m15  [ doi:10.1107/S1600536812047927 ]

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