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Volume 70 
Part 1 
Page m1  
January 2014  

Received 20 September 2013
Accepted 31 October 2013
Online 4 December 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.005 Å
R = 0.030
wR = 0.066
Data-to-parameter ratio = 15.2
Details
Open access

Di­chlorido­{8-[2-(di­methyl­amino)­ethyl­amino]­quinoline-[kappa]3N,N',N''}zinc

aDepartment of Chemistry, College of Science for Women, Baghdad University, Baghdad, Iraq
Correspondence e-mail: Alsudani@Uobaghdad.edu.iq

In the title complex, [ZnCl2(C13H17N3)], the coordination sphere of the zinc cation is distorted square pyramidal. The three N atoms of the N,N',N''-tridentate 8-[2-(di­methyl­amino)­ethyl­amino]­quinoline ligand and one chloride ion constitute a considerably distorted square base. The apical site is occupied by another chloride ion. The distortion from the ideal square-pyramidal geometry is manifested by the N-Zn-N angle of 133.25 (11)°. Like most square-pyramidal metal complexes, the zinc cation is displaced towards the apical chloride ion. In the crystal, mol­ecules are linked by N-H...Cl inter­actions. This leads to the formation of chains of mol­ecules parallel to the b-axis direction.

Related literature

For the role of the zinc cation in biochemical reactions, see: Xu et al. (2010[Xu, Z., Yoon, J. & Spring, D. R. (2010). Chem. Soc. Rev. 39, 1996-2006.]); Jena & Manivannan (2012[Jena, H. S. & Manivannan, V. (2012). Inorg. Chim. Acta, 394, 210-219.]). For the geometry of five-coordinate zinc complexes, see: Dai & Canary (2007[Dai, Z. & Canary, J. W. (2007). New J. Chem. 31, 1708-1718.]). For a related structure, see: Al-Sudani & Kariuki (2013[Al-Sudani, A.-R. H. & Kariuki, B. M. (2013). Acta Cryst. E69, m491-m492.]).

[Scheme 1]

Experimental

Crystal data
  • [ZnCl2(C13H17N3)]

  • Mr = 351.57

  • Orthorhombic, P n a 21

  • a = 23.6403 (6) Å

  • b = 7.5682 (2) Å

  • c = 8.0329 (3) Å

  • V = 1437.20 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.07 mm-1

  • T = 150 K

  • 0.17 × 0.05 × 0.04 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (DENZO/SCALEPACK; 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.]) Tmin = 0.720, Tmax = 0.922

  • 6701 measured reflections

  • 2638 independent reflections

  • 2422 reflections with I > 2[sigma](I)

  • Rint = 0.043

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

  • wR(F2) = 0.066

  • S = 1.07

  • 2638 reflections

  • 174 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.31 e Å-3

  • [Delta][rho]min = -0.38 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 873 Friedel pairs

  • Absolute structure parameter: -0.002 (15)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2A...Cl2i 0.93 2.65 3.420 (3) 141
Symmetry code: (i) x, y-1, z.

Data collection: COLLECT (Nonius, 2000[Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: SCALEPACK (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 (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.]) and SCALEPACK; program(s) used to solve structure: SIR92 (Altomare et al., 1993[Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.]); 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: WinGX publication routines (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and ACD/Chemsketch (Advanced Chemistry Development, 2008[Advanced Chemistry Development (2008). ACD/Chemsketch. Advanced Chemistry Development Inc. Toronto, Ontario, Canada.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5348 ).


Acknowledgements

I would like to thank Professor P. G. Edwards of Cardiff University, School of Chemistry, for providing me with many opportunities to work in his laboratory as an academic visitor as well as for his invaluable advice and financial support, without which this work as well as others would not have been possible. Furthermore, I would like to thank Dr Benson M. Kariuki for the X-ray structure determination of the title complex.

References

Advanced Chemistry Development (2008). ACD/Chemsketch. Advanced Chemistry Development Inc. Toronto, Ontario, Canada.
Al-Sudani, A.-R. H. & Kariuki, B. M. (2013). Acta Cryst. E69, m491-m492.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.  [CrossRef] [Web of Science] [IUCr Journals]
Dai, Z. & Canary, J. W. (2007). New J. Chem. 31, 1708-1718.  [Web of Science] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [IUCr Journals]
Jena, H. S. & Manivannan, V. (2012). Inorg. Chim. Acta, 394, 210-219.  [Web of Science] [CSD] [CrossRef]
Nonius (2000). 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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Xu, Z., Yoon, J. & Spring, D. R. (2010). Chem. Soc. Rev. 39, 1996-2006.  [Web of Science] [CrossRef] [ChemPort] [PubMed]


Acta Cryst (2014). E70, m1  [ doi:10.1107/S1600536813029929 ]

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