Dichlorido{(E)-4-dimethyl­amino-N′-[(pyri­din-2-yl)methyl­idene-κN]benzo­hydrazide-κO}zinc

Chaur, M.N.

doi:10.1107/S1600536812049355

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 (C-C) = 0.003 Å
R = 0.035
wR = 0.084
Data-to-parameter ratio = 18.1
Details

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

Manuel N. Chaur ^a ^*

^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 Zn^II cation is five-coordinated in a strongly distorted square-pyramidal environment by two Cl^- anions and a neutral tridentate Schiff base ligand. The Zn^II 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); Chaur et al. (2011); Ma et al. (2011). For the structure of the ligand and its complex with CuCl₂, see: Sangeetha, Pal & Pal (2000); Sangeetha, Pal, Anson et al. (2000). For the design of molecular dynamic systems, see: Hirose (2010); Lehn (2006). For the synthetic principles of compounds exhibiting dynamic properties, see Kay et al. (2007). For information storage, see: Kandel (2001).

Experimental

Crystal data

[ZnCl₂(C₁₅H₁₆N₄O)]
M_r = 404.59
Monoclinic, P 2₁ /c
a = 16.1822 (7) Å
b = 13.5864 (7) Å
c = 7.5989 (2) Å
= 91.123 (3)°
V = 1670.36 (12) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.538, T_max = 0.764
14366 measured reflections
3803 independent reflections
3252 reflections with I > 2(I)
R_int = 0.055

Refinement

R[F² > 2(F²)] = 0.035
wR(F²) = 0.084
S = 1.06
3803 reflections
210 parameters
H-atom parameters constrained
_max = 0.33 e Å^-3
_min = -0.74 e Å^-3

Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); 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.
Hirose, J. (2010). J. Incl. Phenom. Macrocycl. Chem. 68, 1-24.
Kandel, E. R. (2001). Science, 294, 1030-1038.
Kay, E. R., Leigh, D. A. & Zerbetto, F. (2007). Angew. Chem. Int. Ed. 46, 72-191.
Lehn, J.-M. (2006). Chem. Eur. J. 12, 5910-5915.
Ma, J., Fan, W.-Z. & Lin, L.-R. (2011). Acta Cryst. E67, m624-m625.
Moreno-Fuquen, R., Chaur, M. N., Romero, E. L., Zuluaga, F. & Ellena, J. (2012). Acta Cryst. E68, o2131.
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.
Sangeetha, N. R., Pal, S. & Pal, A. (2000). Polyhedron, 19, 2713-2717.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

metal-organic compounds