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Volume 69 
Part 7 
Page m419  
July 2013  

Received 7 May 2013
Accepted 18 June 2013
Online 29 June 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
Disorder in main residue
R = 0.036
wR = 0.104
Data-to-parameter ratio = 12.1
Details
Open access

{2,2'-[(1,2-Dicyanoethene-1,2-diyl)bis(nitrilomethanylylidyne)]diphenolato-[kappa]4O,N,N',O'}(methanol-[kappa]O)zinc

aCollege of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, People's Republic of China
Correspondence e-mail: shzhzhan@scut.edu.cn

In the title complex, [Zn(C18H10N4O2)(CH4O)], the Zn2+ cation is located on a mirror plane and is coordinated by a tetradentate Schiff base ligand anion (L2-) and a methanol molecule. The Zn2+ cation is surrounded by two N atoms and two O atoms from L2-, in a nearly planar configuration, and one methanol O atom, forming a slightly distorted square-pyramidal geometry. The methanol molecule is disordered over two sets of sites in a 0.5:0.5 ratio. In the crystal, O-H...O hydrogen bonds link the molecules into chains parallel to [001].

Related literature

For background to tetradentate Schiff-base complexes of transition metal ions, see: Bottcher et al. (1997[Bottcher, A., Takeuchi, T., Hardcastle, K. I., Meade, T. J., Gray, H. B., Cwikel, D. & Kapon, M. (1997). Inorg. Chem. 36, 2498-2504.]); Mukherjee et al. (2008[Mukherjee, P., Drew, M. G. B., Estrader, M., Diaz, C. & Ghosh, A. (2008). Inorg. Chim. Acta, 361, 161-172.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C18H10N4O2)(CH4O)]

  • Mr = 411.71

  • Orthorhombic, P n m a

  • a = 18.052 (2) Å

  • b = 19.846 (2) Å

  • c = 5.0388 (6) Å

  • V = 1805.2 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.39 mm-1

  • T = 293 K

  • 0.20 × 0.15 × 0.10 mm

Data collection
  • Bruker APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 1999[Bruker (1999). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.769, Tmax = 0.874

  • 5185 measured reflections

  • 1608 independent reflections

  • 1090 reflections with I > 2[sigma](I)

  • Rint = 0.044

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.104

  • S = 1.02

  • 1608 reflections

  • 133 parameters

  • 12 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -0.24 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2-H2...O1i 0.93 1.85 2.776 (5) 178
Symmetry code: (i) [x, -y+{\script{3\over 2}}, z+1].

Data collection: APEX2 (Bruker, 2009[Bruker (2009). SAINT and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2009[Bruker (2009). SAINT and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: ORTEP-3 for Windows (Farrugia, 2012)[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]; software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JJ2167 ).


References

Bottcher, A., Takeuchi, T., Hardcastle, K. I., Meade, T. J., Gray, H. B., Cwikel, D. & Kapon, M. (1997). Inorg. Chem. 36, 2498-2504.
Bruker (1999). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2009). SAINT and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Mukherjee, P., Drew, M. G. B., Estrader, M., Diaz, C. & Ghosh, A. (2008). Inorg. Chim. Acta, 361, 161-172.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m419  [ doi:10.1107/S1600536813016863 ]

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