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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 [sigma](C-C) = 0.005 Å
R = 0.030
wR = 0.074
Data-to-parameter ratio = 12.4
Details
Open access

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

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 CuII 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 [Cu1...O3 = 2.579 (4) Å]. In the crystal, the cations, anions and water molecules are linked by O-H...O and O-H...N hydrogen bonds.

Related literature

For the role of copper proteins in fundamental biological processes, see: Arnesano et al. (2004[Arnesano, F., Banci, L., Bertini, I. & Ciofi-Baffoni, S. (2004). Eur. J. Inorg. Chem. pp. 1583-1586.]). For the chemistry of copper compounds, see: Bosnich (1968[Bosnich, B. (1968). J. Am. Chem. Soc. 90, 627-632.]); Costes et al. (1995[Costes, J. P., Dominiguez-Vera, J. M. & Laurent, J. P. (1995). Polyhedron, 14, 2179-2187.]); Downing & Urbach (1969[Downing, R. S. & Urbach, F. L. (1969). J. Am. Chem. Soc. 91, 5977-5983.]); Ganeshpure et al. (1996[Ganeshpure, P. A., Tembe, G. L. & Satish, S. (1996). J. Mol. Catal. A Chem. 113, L423-L425.]). For related structures, see: Sun et al. (2005[Sun, Y.-X., Gao, G.-Z., Pei, H.-X. & Zhang, R. (2005). Acta Cryst. E61, m370-m372.]); You et al. (2004[You, Z.-L., Chen, B., Zhu, H.-L. & Liu, W.-S. (2004). Acta Cryst. E60, m884-m886.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C13H10ClN2O)(H2O)]NO3·H2O

  • Mr = 407.26

  • Triclinic, [P \overline 1]

  • a = 7.892 (2) Å

  • b = 8.9741 (12) Å

  • c = 11.8929 (15) Å

  • [alpha] = 106.841 (2)°

  • [beta] = 102.198 (1)°

  • [gamma] = 92.897 (1)°

  • V = 782.3 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 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[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.520, Tmax = 0.645

  • 4114 measured reflections

  • 2714 independent reflections

  • 2280 reflections with I > 2[sigma](I)

  • Rint = 0.016

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.074

  • S = 1.06

  • 2714 reflections

  • 218 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.40 e Å-3

  • [Delta][rho]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-H...A D-H H...A D...A D-H...A
O2-H2a...O5 0.85 1.83 2.676 (4) 173
O2-H2a...N3 0.85 2.52 3.253 (4) 146
O2-H2a...O3 0.85 2.57 3.052 (4) 117
O2-H2b...O6i 0.85 1.81 2.657 (4) 174
O6-H6a...O1ii 0.85 2.08 2.915 (3) 166
O6-H6b...O4 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[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: 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.  [ISI] [CrossRef]
Bosnich, B. (1968). J. Am. Chem. Soc. 90, 627-632.  [CrossRef] [ChemPort] [ISI]
Costes, J. P., Dominiguez-Vera, J. M. & Laurent, J. P. (1995). Polyhedron, 14, 2179-2187.  [CrossRef] [ChemPort] [ISI]
Downing, R. S. & Urbach, F. L. (1969). J. Am. Chem. Soc. 91, 5977-5983.  [CrossRef] [ChemPort] [ISI]
Ganeshpure, P. A., Tembe, G. L. & Satish, S. (1996). J. Mol. Catal. A Chem. 113, L423-L425.  [CrossRef] [ChemPort] [ISI]
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sun, Y.-X., Gao, G.-Z., Pei, H.-X. & Zhang, R. (2005). Acta Cryst. E61, m370-m372.  [CrossRef] [details]
You, Z.-L., Chen, B., Zhu, H.-L. & Liu, W.-S. (2004). Acta Cryst. E60, m884-m886.  [CrossRef] [details]


Acta Cryst (2010). E66, m40  [ doi:10.1107/S1600536809052350 ]

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