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Volume 68 
Part 1 
Page m54  
January 2012  

Received 9 December 2011
Accepted 11 December 2011
Online 17 December 2011

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.009 Å
R = 0.059
wR = 0.107
Data-to-parameter ratio = 15.0
Details
Open access

trans-Bis(acridine-[kappa]N)dichloridopalladium(II)

aSchool of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea
Correspondence e-mail: hakwang@chonnam.ac.kr

In the title complex, [PdCl2(C13H9N)2], the PdII ion is four-coordinated in an essentially square-planar environment by two N atoms from two acridine ligands and two Cl- anions. The Pd atom is located on an inversion centre, and thus the asymmetric unit contains one half of the complex and the PdN2Cl2 unit is exactly planar. The dihedral angle between the PdN2Cl2 unit and the acridine ligand is 84.66 (6)°. In the crystal, the complex molecules are stacked in columns along the a axis connected by C-H...Cl hydrogen bonds, forming chains along [110]. In the columns, numerous intermolecular [pi]-[pi] interactions between the six-membered rings are present, the shortest ring centroid-centroid distance being 3.722 (4) Å.

Related literature

For the related crystal structures [PdX2(acr)2] (X = Br, I), see: Ha (2010a[Ha, K. (2010a). Z. Kristallogr. New Cryst. Struct. 225, 663-664.],b[Ha, K. (2010b). Z. Kristallogr. New Cryst. Struct. 225, 693-694.]).

[Scheme 1]

Experimental

Crystal data
  • [PdCl2(C13H9N)2]

  • Mr = 535.72

  • Triclinic, [P \overline 1]

  • a = 8.2114 (16) Å

  • b = 8.8910 (18) Å

  • c = 9.0105 (18) Å

  • [alpha] = 66.188 (4)°

  • [beta] = 77.230 (4)°

  • [gamma] = 66.885 (4)°

  • V = 551.99 (19) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.10 mm-1

  • T = 200 K

  • 0.20 × 0.12 × 0.09 mm

Data collection
  • Bruker SMART 1000 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.679, Tmax = 1.000

  • 3488 measured reflections

  • 2124 independent reflections

  • 1626 reflections with I > 2[sigma](I)

  • Rint = 0.056

Refinement
  • R[F2 > 2[sigma](F2)] = 0.059

  • wR(F2) = 0.107

  • S = 0.98

  • 2124 reflections

  • 142 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.83 e Å-3

  • [Delta][rho]min = -0.66 e Å-3

Table 1
Selected geometric parameters (Å, °)

Pd1-N1 2.055 (4)
Pd1-Cl1 2.2975 (15)
N1-Pd1-Cl1 89.75 (12)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C5-H5...Cl1i 0.95 2.74 3.589 (6) 149
Symmetry code: (i) -x, -y+2, -z.

Data collection: SMART (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2326 ).


Acknowledgements

This work was supported by the Priority Research Centers Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2010-0029626).

References

Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Ha, K. (2010a). Z. Kristallogr. New Cryst. Struct. 225, 663-664.  [ChemPort]
Ha, K. (2010b). Z. Kristallogr. New Cryst. Struct. 225, 693-694.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]


Acta Cryst (2012). E68, m54  [ doi:10.1107/S1600536811053335 ]

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