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Volume 67 
Part 9 
Page m1305  
September 2011  

Received 13 August 2011
Accepted 20 August 2011
Online 27 August 2011

Key indicators
Single-crystal X-ray study
T = 273 K
Mean [sigma](C-C) = 0.005 Å
R = 0.023
wR = 0.051
Data-to-parameter ratio = 18.2
Details
Open access

(Acetylacetonato-[kappa]2O,O')bis[2-(naphth[1,2-d][1,3]oxazol-2-yl)phenyl-[kappa]2C1,N]iridium(III)

aDepartment of Environment Engineering and Chemistry, Luoyang Institute of Science and Technology, 471023 Luoyang, People's Republic of China
Correspondence e-mail: yinguojie000000@yahoo.com.cn

In the crystal structure of the title compound, [Ir(C17H10NO)2(C5H7O2)], the IrIII atom is O,O'-chelated by the acetylacetonate group and C,N-chelated by the 2-arylnaphth[1,2-d]oxazole groups. The six-coordinate metal atom displays a distorted octahedral geometry.

Related literature

For the synthesis and reactions of some 2-arylnaphth[1,2-d]oxazole derivatives, see: Abbady (1979[Abbady, M. A. (1979). Indian J. Chem. Sect. B, 17, 450-453.]). For the synthesis and characterization of phosphorescent cyclometalated iridium complexes, see: Lamansky et al. (2001[Lamansky, S., Djurovich, P., Murphy, D., Abdel-Razaq, F., Kwong, R., Tsyba, I., Bortz, M., Mui, B., Bau, R. & Thompson, M. E. (2001). Inorg. Chem. 40, 1704-1711.]).

[Scheme 1]

Experimental

Crystal data
  • [Ir(C17H10NO)2(C5H7O2)]

  • Mr = 779.83

  • Monoclinic, C 2/c

  • a = 16.640 (3) Å

  • b = 17.384 (3) Å

  • c = 21.461 (4) Å

  • [beta] = 95.026 (2)°

  • V = 6184.3 (19) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 4.36 mm-1

  • T = 273 K

  • 0.30 × 0.20 × 0.20 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.354, Tmax = 0.476

  • 28178 measured reflections

  • 7558 independent reflections

  • 6091 reflections with I > 2[sigma](I)

  • Rint = 0.031

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.051

  • S = 1.01

  • 7558 reflections

  • 415 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.56 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Table 1
Selected bond lengths (Å)

Ir1-C18 1.995 (3)
Ir1-C1 1.999 (3)
Ir1-N2 2.067 (2)
Ir1-N1 2.091 (2)
Ir1-O4 2.1407 (18)
Ir1-O3 2.1414 (19)

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2371 ).


Acknowledgements

The author gratefully acknowledges financial support by the Natural Science Foundation of China (grant No. 20471054).

References

Abbady, M. A. (1979). Indian J. Chem. Sect. B, 17, 450-453.
Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Lamansky, S., Djurovich, P., Murphy, D., Abdel-Razaq, F., Kwong, R., Tsyba, I., Bortz, M., Mui, B., Bau, R. & Thompson, M. E. (2001). Inorg. Chem. 40, 1704-1711.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2011). E67, m1305  [ doi:10.1107/S1600536811034222 ]

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