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Volume 69 
Part 1 
Page m27  
January 2013  

Received 27 August 2012
Accepted 30 November 2012
Online 8 December 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.003 Å
R = 0.035
wR = 0.084
Data-to-parameter ratio = 18.1
Details
Open access

Dichlorido{(E)-4-dimethylamino-N'-[(pyridin-2-yl)methylidene-[kappa]N]benzohydrazide-[kappa]O}zinc

aDepartamento de Química, Facultad de Ciencias, Universidad del Valle, AA 25360, Santiago de Cali, Colombia
Correspondence e-mail: manuel.chaur@correounivalle.edu.co

In the mononuclear title complex, [ZnCl2(C15H16N4O)], the ZnII cation is five-coordinated in a strongly distorted square-pyramidal environment by two Cl- anions and a neutral tridentate Schiff base ligand. The ZnII cation is chelated by the carbonyl O atom, the imine N atom and the pyridine N atom, which causes a slight loss of planarity for the ligand; the dihedral angle between the aromatic rings is 4.61 (8)°.

Related literature

For related structures, see: Moreno-Fuquen et al. (2012[Moreno-Fuquen, R., Chaur, M. N., Romero, E. L., Zuluaga, F. & Ellena, J. (2012). Acta Cryst. E68, o2131.]); Chaur et al. (2011[Chaur, M. N., Collado, D. & Lehn, J.-M. (2011). Chem. Eur. J. 17, 248-258.]); Ma et al. (2011[Ma, J., Fan, W.-Z. & Lin, L.-R. (2011). Acta Cryst. E67, m624-m625.]). For the structure of the ligand and its complex with CuCl2, see: Sangeetha, Pal & Pal (2000[Sangeetha, N. R., Pal, S. & Pal, A. (2000). Polyhedron, 19, 2713-2717.]); Sangeetha, Pal, Anson et al. (2000[Sangeetha, N. R., Pal, S., Anson, C. E., Powell, A. K. & Pal, S. (2000). Inorg. Chem. Commun. 3, 415-419.]). For the design of molecular dynamic systems, see: Hirose (2010[Hirose, J. (2010). J. Incl. Phenom. Macrocycl. Chem. 68, 1-24.]); Lehn (2006[Lehn, J.-M. (2006). Chem. Eur. J. 12, 5910-5915.]). For the synthetic principles of compounds exhibiting dynamic properties, see Kay et al. (2007[Kay, E. R., Leigh, D. A. & Zerbetto, F. (2007). Angew. Chem. Int. Ed. 46, 72-191.]). For information storage, see: Kandel (2001[Kandel, E. R. (2001). Science, 294, 1030-1038.]).

[Scheme 1]

Experimental

Crystal data
  • [ZnCl2(C15H16N4O)]

  • Mr = 404.59

  • Monoclinic, P 21 /c

  • a = 16.1822 (7) Å

  • b = 13.5864 (7) Å

  • c = 7.5989 (2) Å

  • [beta] = 91.123 (3)°

  • V = 1670.36 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.80 mm-1

  • T = 173 K

  • 0.40 × 0.22 × 0.10 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (MULscanABS in PLATON; Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) Tmin = 0.538, Tmax = 0.764

  • 14366 measured reflections

  • 3803 independent reflections

  • 3252 reflections with I > 2[sigma](I)

  • Rint = 0.055

Refinement
  • R[F2 > 2[sigma](F2)] = 0.035

  • wR(F2) = 0.084

  • S = 1.06

  • 3803 reflections

  • 210 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.33 e Å-3

  • [Delta][rho]min = -0.74 e Å-3

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO; 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: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BH2455 ).


Acknowledgements

The author is grateful to the Service de radiocristallographie de l'Institut de Chimie (Strasbourg) and to the Universidad del Valle in Cali, Colombia, for partial financial support.

References

Chaur, M. N., Collado, D. & Lehn, J.-M. (2011). Chem. Eur. J. 17, 248-258.  [CSD] [CrossRef] [ChemPort] [PubMed]
Hirose, J. (2010). J. Incl. Phenom. Macrocycl. Chem. 68, 1-24.  [CrossRef] [ChemPort]
Kandel, E. R. (2001). Science, 294, 1030-1038.  [ISI] [CrossRef] [PubMed] [ChemPort]
Kay, E. R., Leigh, D. A. & Zerbetto, F. (2007). Angew. Chem. Int. Ed. 46, 72-191.  [ISI] [CrossRef] [ChemPort]
Lehn, J.-M. (2006). Chem. Eur. J. 12, 5910-5915.  [CrossRef] [PubMed] [ChemPort]
Ma, J., Fan, W.-Z. & Lin, L.-R. (2011). Acta Cryst. E67, m624-m625.  [CSD] [CrossRef] [details]
Moreno-Fuquen, R., Chaur, M. N., Romero, E. L., Zuluaga, F. & Ellena, J. (2012). Acta Cryst. E68, o2131.  [CSD] [CrossRef] [details]
Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Sangeetha, N. R., Pal, S., Anson, C. E., Powell, A. K. & Pal, S. (2000). Inorg. Chem. Commun. 3, 415-419.  [ISI] [CSD] [CrossRef] [ChemPort]
Sangeetha, N. R., Pal, S. & Pal, A. (2000). Polyhedron, 19, 2713-2717.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]


Acta Cryst (2013). E69, m27  [ doi:10.1107/S1600536812049355 ]

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