[Journal logo]

Volume 68 
Part 11 
Page m1351  
November 2012  

Received 28 September 2012
Accepted 8 October 2012
Online 13 October 2012

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.008 Å
R = 0.021
wR = 0.077
Data-to-parameter ratio = 10.3
Details
Open access

trans-Dichloridobis(4-nitroaniline-[kappa]N1)palladium(II)

aCollege of Mathematics, Physics and Software Engineering, Lanzhou Jiaotong University, Lanzhou 730070, People's Republic of China
Correspondence e-mail: fengtj707@126.com

In the title compound, [PdCl2(C6H6N2O2)2], the PdII atom is coordinated in a distorted square-planar geometry by two N atoms from two 4-nitroaniline ligands and two Cl atoms in a trans arrangement. Intermolecular N-H...Cl hydrogen bonds involving the amino groups and chloride anions lead to a chain along [100]. These chains are further self-assembled into a three-dimensional network through N-H...O and N-H...Cl hydrogen bonds.

Related literature

For background to the application of palladium compounds in catalysis, see: Hartley (1973[Hartley, F. R. (1973). The Chemistry of Platinum and Palladium. New York: John Wiley and Sons.]); Padmanabhan et al. (1985[Padmanabhan, V. M., Patel, R. P. & Ranganathan, T. N. (1985). Acta Cryst. C41, 1305-1307.]). For related structures, see: Chen et al. (2002[Chen, Y.-B., Li, Z.-J., Qin, Y.-Y., Kang, Y., Wu, L. & Yao, Y.-G. (2002). Chin. J. Struct. Chem. 21, 530-532.]); Newkome et al. (1982[Newkome, G. R., Fronczek, F. R., Grupta, V. K., Puckett, W. E., Pantaleo, D. C. & Kiefer, G. E. (1982). J. Am. Chem. Soc. 104, 1782-1783.]).

[Scheme 1]

Experimental

Crystal data
  • [PdCl2(C6H6N2O2)2]

  • Mr = 453.56

  • Monoclinic, C c

  • a = 5.6014 (8) Å

  • b = 26.246 (4) Å

  • c = 11.0763 (16) Å

  • [beta] = 99.828 (2)°

  • V = 1604.5 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.51 mm-1

  • T = 296 K

  • 0.33 × 0.30 × 0.26 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.626, Tmax = 0.688

  • 4453 measured reflections

  • 2135 independent reflections

  • 2075 reflections with I > 2[sigma](I)

  • Rint = 0.018

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.077

  • S = 1.06

  • 2135 reflections

  • 208 parameters

  • 2 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.50 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 696 Friedel pairs

  • Flack parameter: 0.46 (4)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...Cl1i 0.90 2.40 3.293 (5) 175
N1-H1B...Cl2ii 0.90 2.71 3.474 (5) 143
N2-H2A...O3iii 0.90 2.52 3.287 (7) 143
N2-H2B...Cl2iv 0.90 2.46 3.310 (5) 157
Symmetry codes: (i) x-1, y, z; (ii) [x, -y+1, z-{\script{1\over 2}}]; (iii) [x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]; (iv) x+1, y, z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2592 ).


Acknowledgements

The author acknowledges Lanzhou Jiaotong University for supporting this work.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, Y.-B., Li, Z.-J., Qin, Y.-Y., Kang, Y., Wu, L. & Yao, Y.-G. (2002). Chin. J. Struct. Chem. 21, 530-532.  [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Hartley, F. R. (1973). The Chemistry of Platinum and Palladium. New York: John Wiley and Sons.
Newkome, G. R., Fronczek, F. R., Grupta, V. K., Puckett, W. E., Pantaleo, D. C. & Kiefer, G. E. (1982). J. Am. Chem. Soc. 104, 1782-1783.  [CrossRef] [ChemPort] [ISI]
Padmanabhan, V. M., Patel, R. P. & Ranganathan, T. N. (1985). Acta Cryst. C41, 1305-1307.  [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1351  [ doi:10.1107/S1600536812042134 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.