Bis(diphenyl-p-tolyl­phosphane-κP)(2-hy­droxy-3,5,7-bromo­cyclo­hepta-2,4,6-trienonato-κ2O,O′)copper(I)

Barnard, N.I.; Hill, T.N.

doi:10.1107/S1600536812042286

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 (C-C) = 0.006 Å
R = 0.044
wR = 0.130
Data-to-parameter ratio = 20.8
Details

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

Nicola I. Barnard ^a ^* and Tania N. Hill ^a

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

The Cu^I 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-HO 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); Hill & Steyl (2008); Crous et al. (2005). For bis-troplolonato-copper(II) complexes, see: Chipperfield et al. (1998); Hasegawa et al. (1997); Ho (2010); Ho et al. (2009). 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); Steyl (2007, 2009); Steyl & Hill (2009); Steyl & Roodt (2006).

Experimental

Crystal data

[Cu(C₇H₂Br₃O₂)(C₁₉H₁₇P)₂]
M_r = 973.95
Monoclinic, C 2/c
a = 15.4522 (8) Å
b = 13.9073 (8) Å
c = 19.3269 (10) Å
= 103.862 (3)°
V = 4032.4 (4) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.686, T_max = 0.746
27602 measured reflections
5022 independent reflections
3970 reflections with I > 2(I)
R_int = 0.053

Refinement

R[F² > 2(F²)] = 0.044
wR(F²) = 0.130
S = 1.04
5022 reflections
241 parameters
H-atom parameters constrained
_max = 1.51 e Å^-3
_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-HA	D-H	HA	DA	D-HA
C136-H136O2	0.95	2.52	3.365 (4)	149
C115-H115Cg3ⁱ	0.95	2.86	3.621 (4)	138
C137-H13ACg2ⁱⁱ	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); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

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

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