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Volume 68 
Part 11 
Pages m1419-m1420  
November 2012  

Received 4 September 2012
Accepted 20 October 2012
Online 31 October 2012

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Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.007 Å
R = 0.048
wR = 0.101
Data-to-parameter ratio = 19.2
Details
Open access

trans-Iodido(pyrazinyl-[kappa]C2)bis(triphenylphosphane-[kappa]P)palladium(II)

Yao-Jen Tu,a Hsiao-Fen Wang,b* Gene-Hsiang Lee,c* Kuang-Hway Yihd and Xiao-Yan Tanga

aCollege of Environmental Sciences and Engineering, Peking University, Beijing 100871, People's Republic of China,bDepartment of Hair Styling and Design, Hungkuang University, Shalu 433, Taichung, Taiwan, ROC,cInstrumentation Center, College of Science, National Taiwan University, Taipei 106, Taiwan, ROC, and dDepartment of Applied Cosmetology, Hungkuang University, Shalu 433, Taichung, Taiwan, ROC
Correspondence e-mail: ygl615@yahoo.com.tw, ghlee@ntu.edu.tw

There are two independent molecules with similar configurations in the asymmetric unit of the title complex, [Pd(C4H3N2)I(C18H15P)2]. In each molecule, the geometry around the Pd atom is distorted square-planar, with the Pd atom displaced by 0.0549 (12) and 0.0734 (13) Å from the least-squares plane of the I-P-P-C atoms. The PPh3 ligands are in trans positions, with P-Pd-P angles of 173.12 (4) and 170.29 (4)°, while the pyrazinyl ligands and I atoms, also trans to each other, form C-Pd-I angles of 179.38 (12) and 178.44 (12)°. In the crystal, C-H...[pi] interactions occur, resulting in a three-dimensional supramolecular architecture.

Related literature

For reactions in organic synthesis that form C-C bonds, see: Steffen et al. (2005[Steffen, A., Sladek, M. I., Braun, T., Neumann, B. & Stammler, H. G. (2005). Organometallics, 24, 4057-4064.]); Beeby et al. (2004[Beeby, A., Bettington, S., Fairlamb, I. J. S., Goeta, A. E., Kapdi, A. R., Niemela, E. H. & Thompson, A. L. (2004). New J. Chem. 28, 600-605.]); Chin et al. (1988[Chin, C. H., Yeo, S. L., Loh, Z. H., Vittal, J. J., Henderson, W. & Hor, T. S. A. (1988). J. Chem. Soc. Dalton Trans. pp. 3777-3784.]); Dobrzynski & Angelici (1975[Dobrzynski, E. D. & Angelici, R. J. (1975). Inorg. Chem. 14, 1513-1518.]). For Pd-C(carbene) bond lengths, see: Cardin et al. (1972[Cardin, D. J., Cetinkaya, B. & Lappert, M. F. (1972). Chem. Rev. 72, 545-574.]) and for Pd-I bond lengths, see: Yih et al. (2009[Yih, K. H., Wang, H. F., Huang, K. F., Kwan, C. C. & Lee, G. H. (2009). J. Chin. Chem. Soc. 56, 718-724.]). For intramolecular [pi]-[pi] interactions, see: Bustos et al. (2006[Bustos, C., Schott, E., Mac-Leod-Carey, D. A., Ibañez, A. & Alvarez-Thon, L. (2006). Acta Cryst. E62, o2499-o2501.]). For a Pd-pyrimidinyl complex, see: Wang et al. (2011[Wang, H.-F., Zeng, W.-F., Lee, G.-H. & Yih, K.-H. (2011). Acta Cryst. E67, m1820.]).

[Scheme 1]

Experimental

Crystal data

  • [Pd(C4H3N2)I(C18H15P)2]

  • Mr = 836.92

  • Monoclinic, P 21 /c

  • a = 21.5786 (9) Å

  • b = 19.8596 (9) Å

  • c = 16.9192 (8) Å

  • [beta] = 106.6952 (11)°

  • V = 6945.0 (5) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 1.55 mm-1

  • T = 150 K

  • 0.27 × 0.20 × 0.16 mm
Data collection

  • Bruker SMART APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.680, Tmax = 0.790

  • 40984 measured reflections

  • 15924 independent reflections

  • 11520 reflections with I > 2[sigma](I)

  • Rint = 0.055
Refinement

  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.101

  • S = 1.04

  • 15924 reflections

  • 829 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.35 e Å-3

  • [Delta][rho]min = -0.55 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1, Cg2, Cg3, Cg4 and Cg5 are the centroids of the C11-C16, C17-C22, C51-C56, C63-C68 and C75-C80 rings, respectively.
D-H...A D-H H...A D...A D-H...A
C2-H2...Cg5i 0.95 2.99 3.898 (5) 160
C7-H7...Cg3 0.95 3.00 3.930 (5) 168
C25-H25...Cg1ii 0.95 2.91 3.769 (5) 151
C42-H42...Cg2ii 0.95 3.00 3.944 (5) 176
C53-H53...Cg4i 0.95 2.80 3.617 (5) 145
Symmetry codes: (i) [x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]; (ii) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2480 ).

Acknowledgements

We thank the National Science Council of the Republic of China for financial support (NSC101-2113-M-241-001-MY3).

References

Beeby, A., Bettington, S., Fairlamb, I. J. S., Goeta, A. E., Kapdi, A. R., Niemela, E. H. & Thompson, A. L. (2004). New J. Chem. 28, 600-605.  [ISI] [CSD] [CrossRef] [ChemPort]
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Bustos, C., Schott, E., Mac-Leod-Carey, D. A., Ibañez, A. & Alvarez-Thon, L. (2006). Acta Cryst. E62, o2499-o2501.  [CSD] [CrossRef] [details]
Cardin, D. J., Cetinkaya, B. & Lappert, M. F. (1972). Chem. Rev. 72, 545-574.  [CrossRef] [ChemPort] [ISI]
Chin, C. H., Yeo, S. L., Loh, Z. H., Vittal, J. J., Henderson, W. & Hor, T. S. A. (1988). J. Chem. Soc. Dalton Trans. pp. 3777-3784.
Dobrzynski, E. D. & Angelici, R. J. (1975). Inorg. Chem. 14, 1513-1518.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Steffen, A., Sladek, M. I., Braun, T., Neumann, B. & Stammler, H. G. (2005). Organometallics, 24, 4057-4064.  [CSD] [CrossRef] [ChemPort]
Wang, H.-F., Zeng, W.-F., Lee, G.-H. & Yih, K.-H. (2011). Acta Cryst. E67, m1820.  [CrossRef] [details]
Yih, K. H., Wang, H. F., Huang, K. F., Kwan, C. C. & Lee, G. H. (2009). J. Chin. Chem. Soc. 56, 718-724.  [ChemPort]

Acta Cryst (2012). E68, m1419-m1420   [ doi:10.1107/S1600536812043589 ]

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