trans-Dichloridobis(4-nitro­aniline-κN1)palladium(II)

Feng, T.-J.

doi:10.1107/S1600536812042134

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 (C-C) = 0.008 Å
R = 0.021
wR = 0.077
Data-to-parameter ratio = 10.3
Details

trans-Dichloridobis(4-nitroaniline-N¹)palladium(II)

Tian-Jun Feng ^a ^*

^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 Pd^II 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-HCl 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-HO and N-HCl hydrogen bonds.

Related literature

For background to the application of palladium compounds in catalysis, see: Hartley (1973); Padmanabhan et al. (1985). For related structures, see: Chen et al. (2002); Newkome et al. (1982).

Experimental

Crystal data

[PdCl₂(C₆H₆N₂O₂)₂]
M_r = 453.56
Monoclinic, C c
a = 5.6014 (8) Å
b = 26.246 (4) Å
c = 11.0763 (16) Å
= 99.828 (2)°
V = 1604.5 (4) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.626, T_max = 0.688
4453 measured reflections
2135 independent reflections
2075 reflections with I > 2(I)
R_int = 0.018

Refinement

R[F² > 2(F²)] = 0.021
wR(F²) = 0.077
S = 1.06
2135 reflections
208 parameters
2 restraints
H-atom parameters constrained
_max = 0.50 e Å^-3
_min = -0.37 e Å^-3
Absolute structure: Flack (1983), 696 Friedel pairs
Flack parameter: 0.46 (4)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1ACl1ⁱ	0.90	2.40	3.293 (5)	175
N1-H1BCl2ⁱⁱ	0.90	2.71	3.474 (5)	143
N2-H2AO3ⁱⁱⁱ	0.90	2.52	3.287 (7)	143
N2-H2BCl2^iv	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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999); 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.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
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.
Padmanabhan, V. M., Patel, R. P. & Ranganathan, T. N. (1985). Acta Cryst. C41, 1305-1307.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

trans-Dichloridobis(4-nitroaniline-N1)palladium(II)