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Volume 69 
Part 9 
Pages m491-m492  
September 2013  

Received 22 July 2013
Accepted 7 August 2013
Online 14 August 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.003 Å
R = 0.021
wR = 0.053
Data-to-parameter ratio = 23.0
Details
Open access

Di-[mu]-chlorido-dichloridobis{8-[2-(dimethylamino)ethylamino]quinoline}dicadmium monohydrate

aDepartment of Chemistry, College of Science for Women, Baghdad University, Baghdad, Iraq, and bSchool of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, Wales
Correspondence e-mail: alsudani@uobaghdad.edu.iq

The title complex, [Cd2Cl4(C13H17N3)2]·H2O, is centrosymmetic and contains two Cd2+ ions bridged by two Cl- ions, leading to a strictly planar Cd2Cl2 core. Each Cd2+ ion is further coordinated by an additional Cl- ion and three N atoms of a tridentate 8-[2-(dimethylamino)ethylamino]quinoline ligand in the form of a considerably distorted octahedron for the overall coordination sphere. A lattice water molecule is located on a twofold rotation axis and links pairs of complexes through N-H...O and O-H...Cl hydrogen bonds.

Related literature

For background to N-containing ligands including quinoline derivatives, see: Chaudhuri et al. (2007[Chaudhuri, U. P., Whiteaker, L. R., Mondal, A., Klein, E. L., Powell, D. R. & Houser, R. P. (2007). Inorg. Chim. Acta, 360, 3610-3618.]); Kizirian (2008[Kizirian, J.-C. (2008). Chem. Rev. 108, 140-205.]); Miodragovic et al. (2008[Miodragovic, D. U., Mitic, D. M., Miodragovic, Z. M., Bogdanovic, G. A. & Vitnik, Z. (2008). Inorg. Chim. Acta, 361, 86-94.]); Puviarasan et al. (2004[Puviarasan, N., Arjunan, V. & Mohan, S. (2004). Turk. J. Chem. 28, 53-65.]); Singh et al. (2008[Singh, A. K., Kumari, S. & Kumar, K. R. (2008). Polyhedron, 27, 181-186.]); Van Asselt & Elsevier (1994[Van Asselt, R. & Elsevier, C. J. (1994). Tetrahedron, 50, 323-334.]); Zhang et al. (2009[Zhang, J.-A., Pan, M., Zhang, J.-Y., Kang, B.-S. & Su, C.-Y. (2009). Inorg. Chim. Acta, 362, 3519-3525.]). For the synthetic procedure, see: Amoroso et al. (2009[Amoroso, A. J., Edwards, P. G., Howard, S. T., Kariuki, B. M., Knight, J. C., Ooi, L.-L., Malik, K. M. A., Stratford, L. & Al-Sudani, A.-R. H. (2009). Dalton Trans. pp. 8356-8362.]); Hartshorn & Baird (1946[Hartshorn, E. B. & Baird, S. L. Jr (1946). J. Am. Chem. Soc. 68, 1562-1563.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd2Cl4(C13H17N3)2]·H2O

  • Mr = 815.21

  • Monoclinic, C 2/c

  • a = 20.7162 (3) Å

  • b = 10.1590 (2) Å

  • c = 15.5574 (3) Å

  • [beta] = 107.315 (1)°

  • V = 3125.77 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.73 mm-1

  • T = 150 K

  • 0.22 × 0.22 × 0.20 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (DENZO and 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 = 0.702, Tmax = 0.723

  • 7231 measured reflections

  • 4216 independent reflections

  • 3946 reflections with I > 2[sigma](I)

  • Rint = 0.016

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.053

  • S = 1.06

  • 4216 reflections

  • 183 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.51 e Å-3

  • [Delta][rho]min = -0.72 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2A...O1 0.93 2.08 2.9765 (17) 163
O1-H1O...Cl2i 0.87 (3) 2.26 (3) 3.0758 (9) 158 (3)
Symmetry code: (i) -x, -y, -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., 1994[Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.]); 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.]) and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: WinGX (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: WM2762 ).


Acknowledgements

The authors extend their appreciation to Cardiff University for supporting this research. Professor P. G. Edwards and Dr A. J. Amoroso are thanked for their advice and financial support.

References

Advanced Chemistry Development (2008). ACD/Chemsketch. Advanced Chemistry Development, Inc., Toronto, Ontario, Canada.
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.  [CrossRef] [details]
Amoroso, A. J., Edwards, P. G., Howard, S. T., Kariuki, B. M., Knight, J. C., Ooi, L.-L., Malik, K. M. A., Stratford, L. & Al-Sudani, A.-R. H. (2009). Dalton Trans. pp. 8356-8362.  [CSD] [CrossRef]
Chaudhuri, U. P., Whiteaker, L. R., Mondal, A., Klein, E. L., Powell, D. R. & Houser, R. P. (2007). Inorg. Chim. Acta, 360, 3610-3618.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Hartshorn, E. B. & Baird, S. L. Jr (1946). J. Am. Chem. Soc. 68, 1562-1563.  [CrossRef] [ChemPort] [PubMed] [ISI]
Kizirian, J.-C. (2008). Chem. Rev. 108, 140-205.  [ISI] [CrossRef] [PubMed] [ChemPort]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Miodragovic, D. U., Mitic, D. M., Miodragovic, Z. M., Bogdanovic, G. A. & Vitnik, Z. (2008). Inorg. Chim. Acta, 361, 86-94.  [ChemPort]
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.
Puviarasan, N., Arjunan, V. & Mohan, S. (2004). Turk. J. Chem. 28, 53-65.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Singh, A. K., Kumari, S. & Kumar, K. R. (2008). Polyhedron, 27, 181-186.  [ISI] [CSD] [CrossRef] [ChemPort]
Van Asselt, R. & Elsevier, C. J. (1994). Tetrahedron, 50, 323-334.  [CrossRef] [ChemPort] [ISI]
Zhang, J.-A., Pan, M., Zhang, J.-Y., Kang, B.-S. & Su, C.-Y. (2009). Inorg. Chim. Acta, 362, 3519-3525.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m491-m492   [ doi:10.1107/S160053681302206X ]

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