Aqua­[4-chloro-2-(2-pyridylmethyl­imino­meth­yl)phenolato]copper(II) nitrate monohydrate

Liang, Q.; Chen, X.; Zhang, H.; Zou, Z.

doi:10.1107/S1600536809052350

Volume 66
Part 1
Page m40
January 2010

Received 27 November 2009
Accepted 5 December 2009
Online 12 December 2009

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R = 0.030
wR = 0.074
Data-to-parameter ratio = 12.4
Details

Aqua[4-chloro-2-(2-pyridylmethyliminomethyl)phenolato]copper(II) nitrate monohydrate

Qing Liang,^a Xiaodan Chen,^a Huaihong Zhang ^a and Zhihong Zou ^a ^*

^aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China
Correspondence e-mail: chmsunbw@seu.edu.cn

In the title mononuclear complex, [Cu(C₁₃H₁₀ClN₂O)(H₂O)]NO₃·H₂O, the Cu^II atom is four-coordinated by two N atoms and one O atom of the tridentate Schiff base ligand and one O atom from the coordinated water molecule in a slightly distorted square-planar configuration. The nitrate ion interacts with the copper center [Cu1O3 = 2.579 (4) Å]. In the crystal, the cations, anions and water molecules are linked by O-HO and O-HN hydrogen bonds.

Related literature

For the role of copper proteins in fundamental biological processes, see: Arnesano et al. (2004). For the chemistry of copper compounds, see: Bosnich (1968); Costes et al. (1995); Downing & Urbach (1969); Ganeshpure et al. (1996). For related structures, see: Sun et al. (2005); You et al. (2004).

Experimental

Crystal data

[Cu(C₁₃H₁₀ClN₂O)(H₂O)]NO₃·H₂O
M_r = 407.26
Triclinic, $[P \overline 1]$
a = 7.892 (2) Å
b = 8.9741 (12) Å
c = 11.8929 (15) Å
= 106.841 (2)°
= 102.198 (1)°
= 92.897 (1)°
V = 782.3 (2) Å³
Z = 2
Mo K radiation
= 1.60 mm^-1
T = 298 K
0.47 × 0.41 × 0.30 mm

Data collection

Rigaku SCXmini diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.520, T_max = 0.645
4114 measured reflections
2714 independent reflections
2280 reflections with I > 2(I)
R_int = 0.016

Refinement

R[F² > 2(F²)] = 0.030
wR(F²) = 0.074
S = 1.06
2714 reflections
218 parameters
1 restraint
H-atom parameters constrained
_max = 0.40 e Å^-3
_min = -0.39 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Cu1-O1	1.889 (2)
Cu1-N1	1.936 (3)
Cu1-O2	1.975 (2)
Cu1-N2	1.982 (3)

O1-Cu1-N1	93.94 (10)
O1-Cu1-O2	88.85 (9)
N1-Cu1-O2	171.60 (10)
O1-Cu1-N2	176.81 (10)
N1-Cu1-N2	82.98 (11)
O2-Cu1-N2	94.32 (10)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O2-H2aO5	0.85	1.83	2.676 (4)	173
O2-H2aN3	0.85	2.52	3.253 (4)	146
O2-H2aO3	0.85	2.57	3.052 (4)	117
O2-H2bO6ⁱ	0.85	1.81	2.657 (4)	174
O6-H6aO1ⁱⁱ	0.85	2.08	2.915 (3)	166
O6-H6bO4	0.85	1.93	2.782 (5)	177
Symmetry codes: (i) x-1, y, z; (ii) -x+1, -y, -z+1.

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; 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: ZQ2021 ).

References

Arnesano, F., Banci, L., Bertini, I. & Ciofi-Baffoni, S. (2004). Eur. J. Inorg. Chem. pp. 1583-1586.
Bosnich, B. (1968). J. Am. Chem. Soc. 90, 627-632.
Costes, J. P., Dominiguez-Vera, J. M. & Laurent, J. P. (1995). Polyhedron, 14, 2179-2187.
Downing, R. S. & Urbach, F. L. (1969). J. Am. Chem. Soc. 91, 5977-5983.
Ganeshpure, P. A., Tembe, G. L. & Satish, S. (1996). J. Mol. Catal. A Chem. 113, L423-L425.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sun, Y.-X., Gao, G.-Z., Pei, H.-X. & Zhang, R. (2005). Acta Cryst. E61, m370-m372.
You, Z.-L., Chen, B., Zhu, H.-L. & Liu, W.-S. (2004). Acta Cryst. E60, m884-m886.

metal-organic compounds