Bis(2-methyl­benzoato-κ2O,O′)(1,10′-phenanthroline-κ2N,N′)copper(II)

Ni, S.-L.; Zhou, F.; Qi, J.-L.

doi:10.1107/S1600536811018162

Volume 67
Part 6
Page m779
June 2011

Received 10 May 2011
Accepted 13 May 2011
Online 20 May 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R = 0.045
wR = 0.150
Data-to-parameter ratio = 12.6
Details

Bis(2-methylbenzoato-²O,O')(1,10'-phenanthroline-²N,N')copper(II)

Sheng-Liang Ni,^a ^* Feng Zhou ^a and Jin-Li Qi ^a

^aDepartment of Chemistry, Huzhou Teachers College, Huzhou, Zhejiang, 313000, People's Republic of China
Correspondence e-mail: shengliangni@163.com

In the title compound, [Cu(C₈H₇O₂)₂(C₁₂H₈N₂)], the Cu^II atom assumes a distorted octahedral coordination geometry, chelated by two N atoms from the 1,10'-phenanthroline ligand and four O atoms from two 2-methylbenzoate anions. A significant Jahn-Teller distortion is observed with two axial Cu-O distances significantly longer than those in the equatorial CuO₂N₂ plane. In the crystal, [pi] - [pi] stacking interactions, with centroid-centroid distances of 3.547 (3) or 3.728 (3) Å between the phenanthroline rings, form layers parallel to (011).

Related literature

For Jahn-Teller distortions in copper complexes, see: Yang & Vittal (2003); Su et al. (2005); Liu et al. (2010). For phenanthroline complexes, see: Wang et al. (1996); Wall et al. (1999); Naing et al. (1995). For related structures, see: Cano et al. (1997); Rodrigues et al. (1999) Xu & Xu (2004).

Experimental

Crystal data

[Cu(C₈H₇O₂)₂(C₁₂H₈N₂)]
M_r = 514.02
Monoclinic, P 2₁ /c
a = 16.245 (3) Å
b = 10.136 (2) Å
c = 14.048 (3) Å
= 99.15 (3)°
V = 2283.7 (8) Å³
Z = 4
Mo K radiation
= 1.00 mm^-1
T = 293 K
0.15 × 0.10 × 0.10 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.866, T_max = 0.900
17441 measured reflections
4021 independent reflections
2509 reflections with I > 2(I)
R_int = 0.063

Refinement

R[F² > 2(F²)] = 0.045
wR(F²) = 0.150
S = 1.13
4021 reflections
319 parameters
H-atom parameters constrained
_max = 0.74 e Å^-3
_min = -1.04 e Å^-3

Table 1
Selected bond lengths (Å)

Cu-O3	1.919 (4)
Cu-O1	1.927 (4)
Cu-N2	2.010 (4)
Cu-N1	2.025 (4)

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); 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: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5144 ).

Acknowledgements

This project was supported by the Foundation of the Education Department of Zhejiang Province (ZC200805662).

References

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