(Acetyl­acetonato-κ2O,O′)bis­[2-(naphth[1,2-d][1,3]oxazol-2-yl)phenyl-κ2C1,N]iridium(III)

Yin, G.

doi:10.1107/S1600536811034222

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 (C-C) = 0.005 Å
R = 0.023
wR = 0.051
Data-to-parameter ratio = 18.2
Details

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

Guojie Yin ^a ^*

^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 Ir^III 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). For the synthesis and characterization of phosphorescent cyclometalated iridium complexes, see: Lamansky et al. (2001).

Experimental

Crystal data

[Ir(C₁₇H₁₀NO)₂(C₅H₇O₂)]
M_r = 779.83
Monoclinic, C 2/c
a = 16.640 (3) Å
b = 17.384 (3) Å
c = 21.461 (4) Å
= 95.026 (2)°
V = 6184.3 (19) Å³
Z = 8
Mo K radiation
= 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) T_min = 0.354, T_max = 0.476
28178 measured reflections
7558 independent reflections
6091 reflections with I > 2(I)
R_int = 0.031

Refinement

R[F² > 2(F²)] = 0.023
wR(F²) = 0.051
S = 1.01
7558 reflections
415 parameters
H-atom parameters constrained
_max = 0.56 e Å^-3
_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); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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.
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

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