Bis(acetato-κO)[1,2-bis­(2-pyridylmeth­oxy)benzene-κ4N,O,O′,N′]copper(II) monohydrate

Zhang, S.; Wang, Y.-J.; Ma, D.-S.; Liu, Y.; Gao, J.-S.

doi:10.1107/S160053681001874X

Volume 66
Part 6
Page m701
June 2010

Received 18 May 2010
Accepted 19 May 2010
Online 22 May 2010

Key indicators
Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.004 Å
R = 0.034
wR = 0.089
Data-to-parameter ratio = 17.0
Details

Bis(acetato-O)[1,2-bis(2-pyridylmethoxy)benzene-⁴N,O,O',N']copper(II) monohydrate

Shuang Zhang,^a Yu-Jie Wang,^a,^b Dong-Sheng Ma,^b Ying Liu ^b and Jin-Sheng Gao ^a,^b ^*

^aEngineering Research Center of Pesticide of Heilongjiang Province, Heilongjiang University, Harbin 150080, People's Republic of China, and ^bCollege of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China
Correspondence e-mail: hgf1000@163.com

In the title compound, [Cu(CH₃COO)₂(C₁₈H₁₆N₂O₂)]·H₂O, the Cu^II ion is six-coordinated in a typically Jahn-Teller distorted octahedral environment defined by two O and two N atoms from the ligand and two O atoms from acetate anions. A linear chain structure propagating in [010] is built up by intermolecular O-HO hydrogen bonds involving the uncoordinated water molecules.

Related literature

For the synthesis and for general backround to flexible pyridyl-based ligands, see: Liu et al. (2010a,b).

Experimental

Crystal data

[Cu(C₂H₃O₂)₂(C₁₈H₁₆N₂O₂)]·H₂O
M_r = 491.98
Monoclinic, P 2₁ /c
a = 11.661 (3) Å
b = 14.689 (6) Å
c = 15.553 (4) Å
= 123.540 (11)°
V = 2220.5 (12) Å³
Z = 4
Mo K radiation
= 1.03 mm^-1
T = 291 K
0.20 × 0.19 × 0.18 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.818, T_max = 0.838
21143 measured reflections
4960 independent reflections
3854 reflections with I > 2(I)
R_int = 0.043

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.089
S = 1.05
4960 reflections
291 parameters
H-atom parameters constrained
_max = 0.28 e Å^-3
_min = -0.28 e Å^-3

Table 1
Selected bond lengths (Å)

Cu1-O5	1.9529 (16)
Cu1-O3	1.9571 (16)
Cu1-N1	2.0580 (18)
Cu1-N2	2.0823 (18)
Cu1-O2	2.4719 (15)
Cu1-O1	2.5353 (16)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O7-H71O4ⁱ	0.85	1.92	2.772 (3)	174
O7-H72O5	0.85	2.14	2.986 (2)	178
Symmetry code: (i) $[-x, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002); 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: NG2778 ).

Acknowledgements

The authors thank the Special Funds for the Research of Scientific and Technological Innovative Talents of Harbin Municipal Science and Technology Bureau (2006RFQXG093) and Heilongjiang University for supporting this study.

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Liu, Y., Yan, P.-F., Yu, Y.-H., Hou, G.-F. & Gao, J.-S. (2010a). Cryst. Growth Des. 10, 1559-1568.
Liu, Y., Yan, P.-F., Yu, Y.-H., Hou, G.-F. & Gao, J.-S. (2010b). Inorg. Chem. Commun. 13, 630-632.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Bis(acetato-O)[1,2-bis(2-pyridylmethoxy)benzene-4N,O,O',N']copper(II) monohydrate