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Volume 68 
Part 11 
Pages m1354-m1355  
November 2012  

Received 8 October 2012
Accepted 9 October 2012
Online 13 October 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.006 Å
R = 0.044
wR = 0.130
Data-to-parameter ratio = 20.8
Details
Open access

Bis(diphenyl-p-tolylphosphane-[kappa]P)(2-hydroxy-3,5,7-bromocyclohepta-2,4,6-trienonato-[kappa]2O,O')copper(I)

aDepartment of Chemistry, University of the Free State, Bloemfontein, Free State. South Africa
Correspondence e-mail: 2000011219@ufs4life.ac.za

The CuI atom in the title compund, [Cu(C7H2Br3O2)(C19H17P)2], is located on a twofold rotation axis; the 3,5,7-tribromotropolonate anion coordinates as a bidentate ligand with a bite angle of 76.42 (9)°. An intramolecular C-H...O interaction occurs. Within the crystal, extensive weak C-H...[pi] interactions contribute to the herringbone pattern observed in the packing of the molecules.

Related literature

For background to tropolone and its derivatives, see: Dewar (1945[Dewar, M. J. S. (1945). Nature (London), 155, 141-145.]); Hill & Steyl (2008[Hill, T. N. & Steyl, G. (2008). Acta Cryst. E64, m1580-m1581.]); Crous et al. (2005[Crous, R., Datt, M., Foster, D., Bennie, L., Steenkamp, C., Huyser, J., Kirsten, L., Steyl, G. & Roodt, A. (2005). Dalton Trans. pp. 1108-1115.]). For bis-troplolonato-copper(II) complexes, see: Chipperfield et al. (1998[Chipperfield, J. R., Clark, S., Elliott, J. & Sinn, E. (1998). Chem. Commun. pp. 195-196.]); Hasegawa et al. (1997[Hasegawa, M., Inomaki, Y., Inayoshi, T., Mosbi, T. & Kobayashi, M. (1997). Inorg. Chim. Acta, 257, 259-264.]); Ho (2010[Ho, D. M. (2010). Acta Cryst. C66, m294-m299.]); Ho et al. (2009[Ho, D. M., Berardini, M. E. & Arvanitis, G. M. (2009). Acta Cryst. C65, m391-m394.]). For work on the effect the troplonato ligand has on the solid state and chemical behaviour of copper(I) phosphine metal complexes, see: Roodt et al. (2003[Roodt, A., Otto, S. & Steyl, G. (2003). Coord. Chem. Rev. 245, 121-137.]); Steyl (2007[Steyl, G. (2007). Acta Cryst. E63, m2613-m2614.], 2009[Steyl, G. (2009). Acta Cryst. E65, m448.]); Steyl & Hill (2009[Steyl, G. & Hill, T. N. (2009). Acta Cryst. E65, m233.]); Steyl & Roodt (2006[Steyl, G. & Roodt, A. (2006). S. Afr. J. Chem. 59, 21-27.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C7H2Br3O2)(C19H17P)2]

  • Mr = 973.95

  • Monoclinic, C 2/c

  • a = 15.4522 (8) Å

  • b = 13.9073 (8) Å

  • c = 19.3269 (10) Å

  • [beta] = 103.862 (3)°

  • V = 4032.4 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 3.63 mm-1

  • T = 100 K

  • 0.18 × 0.09 × 0.06 mm

Data collection
  • Bruker X8 APEXII 4K Kappa CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2004[Bruker (2004). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin. USA.]) Tmin = 0.686, Tmax = 0.746

  • 27602 measured reflections

  • 5022 independent reflections

  • 3970 reflections with I > 2[sigma](I)

  • Rint = 0.053

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.130

  • S = 1.04

  • 5022 reflections

  • 241 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.51 e Å-3

  • [Delta][rho]min = -1.57 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg2 and Cg3 are the centroids of the C121-C126 and C131-C136 rings, respectively.

D-H...A D-H H...A D...A D-H...A
C136-H136...O2 0.95 2.52 3.365 (4) 149
C115-H115...Cg3i 0.95 2.86 3.621 (4) 138
C137-H13A...Cg2ii 0.98 3.18 4.144 (6) 168
Symmetry codes: (i) [x-{\script{1\over 2}}, y-{\script{1\over 2}}, z]; (ii) [x, -y+1, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2004[Bruker (2004). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin. USA.]); data reduction: SAINT-Plus; 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 & Putz, 2005[Brandenburg, K. & Putz, H. (2005). Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG5299 ).


Acknowledgements

Professors G. Steyland and A. Roodt, University of the Free State, and Mr Renier Koen are thanked for the data collection. Financial assistance from the University of the Free State Strategic Academic Cluster Initiative, SASOL, the South African NationalResearch Foundation (SA-NRF/THRIP) and the Inkaba yeAfrika Research Initiative is gratefully acknowledged. Part of this material is based on work supported by the SA-NRF/THRIP under grant No. GUN 2068915. Opinions, findings,conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the SA-NRF.

References

Brandenburg, K. & Putz, H. (2005). Crystal Impact GbR, Bonn, Germany.
Bruker (2004). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin. USA.
Bruker (2005). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Chipperfield, J. R., Clark, S., Elliott, J. & Sinn, E. (1998). Chem. Commun. pp. 195-196.  [CrossRef]
Crous, R., Datt, M., Foster, D., Bennie, L., Steenkamp, C., Huyser, J., Kirsten, L., Steyl, G. & Roodt, A. (2005). Dalton Trans. pp. 1108-1115.  [CSD] [CrossRef]
Dewar, M. J. S. (1945). Nature (London), 155, 141-145.  [CrossRef] [ChemPort] [ISI]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Hasegawa, M., Inomaki, Y., Inayoshi, T., Mosbi, T. & Kobayashi, M. (1997). Inorg. Chim. Acta, 257, 259-264.  [CrossRef] [ChemPort] [ISI]
Hill, T. N. & Steyl, G. (2008). Acta Cryst. E64, m1580-m1581.  [CSD] [CrossRef] [details]
Ho, D. M. (2010). Acta Cryst. C66, m294-m299.  [CSD] [CrossRef] [details]
Ho, D. M., Berardini, M. E. & Arvanitis, G. M. (2009). Acta Cryst. C65, m391-m394.  [CSD] [CrossRef] [details]
Roodt, A., Otto, S. & Steyl, G. (2003). Coord. Chem. Rev. 245, 121-137.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Steyl, G. (2007). Acta Cryst. E63, m2613-m2614.  [CSD] [CrossRef] [details]
Steyl, G. (2009). Acta Cryst. E65, m448.  [CSD] [CrossRef] [details]
Steyl, G. & Hill, T. N. (2009). Acta Cryst. E65, m233.  [CSD] [CrossRef] [details]
Steyl, G. & Roodt, A. (2006). S. Afr. J. Chem. 59, 21-27.  [ChemPort]


Acta Cryst (2012). E68, m1354-m1355   [ doi:10.1107/S1600536812042286 ]

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