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Volume 69 
Part 2 
Page m88  
February 2013  

Received 10 December 2012
Accepted 22 December 2012
Online 9 January 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.011 Å
R = 0.048
wR = 0.135
Data-to-parameter ratio = 16.1
Details
Open access

Tetrabromido[4-(triphenylphosphanyloxy)butyl]tellurium acetonitrile monosolvate

aDepartment of Chemistry, PO Box 3000, FI-90014 University of Oulu, Finland
Correspondence e-mail: raija.oilunkaniemi@oulu.fi

In the title compound, [TeBr4(C22H23OP)]·CH3CN, the Te atom exhibits a square-pyramidal coordination with an apical Te-C bond and four basal Te-Br bonds. The conformation of the aliphatic C-C-C-C chain is gauche [torsion angle = -67.7 (8)°]. A weak C-H...Br interaction helps to establish the conformation. In the crystal, there is a weak secondary bonding interaction [Te...N = 3.456 (11) Å] between the Te atom and the N atom of the solvent molecule, which completes a distorted TeNCBr4 octahedron. Inversion dimers linked by pairs of C-H...Br interactions are also observed.

Related literature

For the formation of Ph3PO(CH2)4TeBr4 and the structure of the dichloromethane monosolvate, see: Kunnari et al. (2001[Kunnari, S. M., Oilunkaniemi, R., Laitinen, R. S. & Ahlgren, M. (2001). J. Chem. Soc. Dalton Trans. pp. 3417-3418.]). For Te...N interactions, see: Cozzolino et al. (2011[Cozzolino, A. F., Elder, P. J. & Vargas-Baca, I. (2011). Coord. Chem. Rev. pp. 1426-1438.]); Pauling (1960[Pauling, L. (1960). The Nature of the Chemical Bond, 3rd ed. Ithaca: Cornell University Press.]).

[Scheme 1]

Experimental

Crystal data
  • [TeBr4(C22H23OP)]·C2H3N

  • Mr = 822.67

  • Monoclinic, P 21 /n

  • a = 9.3195 (19) Å

  • b = 13.899 (3) Å

  • c = 21.962 (4) Å

  • [beta] = 94.92 (3)°

  • V = 2834.3 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 6.76 mm-1

  • T = 150 K

  • 0.10 × 0.10 × 0.05 mm

Data collection
  • Bruker-Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) Tmin = 0.551, Tmax = 0.729

  • 11187 measured reflections

  • 4684 independent reflections

  • 3714 reflections with I > 2[sigma](I)

  • Rint = 0.073

Refinement
  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.135

  • S = 1.07

  • 4684 reflections

  • 291 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.88 e Å-3

  • [Delta][rho]min = -0.79 e Å-3

Table 1
Selected bond lengths (Å)

Te1-C4 2.176 (7)
Te1-Br2 2.6652 (10)
Te1-Br4 2.6814 (11)
Te1-Br1 2.6944 (11)
Te1-Br3 2.7201 (10)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C3-H3B...Br1 0.99 2.82 3.450 (7) 122
C26-H26...Br3i 0.95 2.75 3.619 (8) 152
Symmetry code: (i) -x+1, -y+1, -z.

Data collection: COLLECT (Bruker, 2008[Bruker (2008). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol 276. Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO-SMN; 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: DIAMOND (Brandenburg, 2006)[Brandenburg, K. (2006). DIAMOND. Crystal Impact GmbH, Bonn, Germany.]; 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: HB7012 ).


Acknowledgements

Financial support from the Academy of Finland is gratefully acknowledged.

References

Brandenburg, K. (2006). DIAMOND. Crystal Impact GmbH, Bonn, Germany.
Bruker (2008). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.
Cozzolino, A. F., Elder, P. J. & Vargas-Baca, I. (2011). Coord. Chem. Rev. pp. 1426-1438.  [ISI] [CrossRef]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Kunnari, S. M., Oilunkaniemi, R., Laitinen, R. S. & Ahlgren, M. (2001). J. Chem. Soc. Dalton Trans. pp. 3417-3418.  [CSD] [CrossRef]
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol 276. Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Pauling, L. (1960). The Nature of the Chemical Bond, 3rd ed. Ithaca: Cornell University Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m88  [ doi:10.1107/S1600536812051707 ]

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