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Volume 69 
Part 3 
Pages m170-m171  
March 2013  

Received 5 February 2013
Accepted 18 February 2013
Online 23 February 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.025
wR = 0.060
Data-to-parameter ratio = 14.0
Details
Open access

cis-Chlorido(ethylamine)bis(propane-1,3-diamine)cobalt(III) dichloride

aCentre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India, and bDepartment of Chemistry, Pondicherry University, Pondicherry 605 014, India
Correspondence e-mail: mnpsy2004@yahoo.com

In the title compound, [CoCl(C2H7N)(C3H10N2)2]Cl2, the CoIII ion has a distorted octahedral coordination environment and is surrounded by four N atoms in the equatorial plane, with the other N and Cl atoms occupying the axial positions. The crystal packing is stabilized by N-H...Cl hydrogen bonds, forming a layered arrangement parallel to (1-10).

Related literature

For supramolecular structures, see: Desiraju (1995[Desiraju, G. R. (1995). Angew. Chem. Int. Ed. Engl. 34, 2311-2327.]); Khlobystov et al. (2001[Khlobystov, A. N., Blake, A. J., Champness, N. R., Lemenovskii, D. A., Majouga, A. G., Zyk, N. V. & Schroder, M. (2001). Coord. Chem. Rev. 222, 155-192.]); Lehn (1995[Lehn, J. M. (1995). In Supramolecular Chemistry. Concepts and Perspectives. Weinheim: VCH.]); Seo et al. (2000[Seo, J. S., Whang, D., Lee, H., Jun, S. I., Oh, J., Jeon, Y. J. & Kim, K. (2000). Nature (London), 404, 982-986.]). For CoIII complexes, see: Chang et al. (2010[Chang, E. L., Simmers, C. & Andrew Knight, D. (2010). Pharmaceuticals, 3, 1711-1728.]). For related and comparable structures, see: Anbalagan et al. (2009[Anbalagan, K., Tamilselvan, M., Nirmala, S. & Sudha, L. (2009). Acta Cryst. E65, m836-m837.]); Lee et al. (2007[Lee, D. N., Lee, E. Y., Kim, C., Kim, S.-J. & Kim, Y. (2007). Acta Cryst. E63, m1949-m1950.]); Ramesh et al. (2008[Ramesh, P., SubbiahPandi, A., Jothi, P., Revathi, C. & Dayalan, A. (2008). Acta Cryst. E64, m300-m301.]); Ravichandran et al. (2009[Ravichandran, K., Ramesh, P., Tamilselvan, M., Anbalagan, K. & Ponnuswamy, M. N. (2009). Acta Cryst. E65, m1174-m1175.]). For the preparation of (1,3-diaminopropane)cobalt(III), see: Bailar & Work (1946[Bailar, J. C. & Work, J. B. (1946). J. Am. Chem. Soc. 68, 232-235.]).

[Scheme 1]

Experimental

Crystal data
  • [CoCl(C2H7N)(C3H10N2)2]Cl2

  • Mr = 358.63

  • Triclinic, [P \overline 1]

  • a = 7.8847 (4) Å

  • b = 8.0627 (4) Å

  • c = 12.6526 (5) Å

  • [alpha] = 102.780 (3)°

  • [beta] = 99.936 (4)°

  • [gamma] = 92.580 (4)°

  • V = 769.76 (6) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.62 mm-1

  • T = 293 K

  • 0.45 × 0.35 × 0.35 mm

Data collection
  • Oxford Diffraction Xcalibur Eos diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]) Tmin = 0.600, Tmax = 1.000

  • 4965 measured reflections

  • 2711 independent reflections

  • 2299 reflections with I > 2[sigma](I)

  • Rint = 0.018

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.060

  • S = 0.99

  • 2711 reflections

  • 194 parameters

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

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.35 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2D...Cl2i 0.84 (2) 2.77 (2) 3.5033 (19) 145.6 (18)
N3-H3C...Cl2i 0.79 (2) 2.49 (2) 3.275 (2) 168 (2)
N1-H1D...Cl2ii 0.82 (2) 2.52 (2) 3.3278 (19) 173.2 (18)
N3-H3D...Cl2ii 0.87 (2) 2.72 (2) 3.472 (2) 145.6 (18)
N4-H4C...Cl3iii 0.88 (2) 2.40 (2) 3.261 (2) 163.7 (19)
N5-H5D...Cl3iii 0.82 (2) 2.57 (2) 3.329 (2) 154 (2)
Symmetry codes: (i) x, y+1, z; (ii) -x+2, -y+1, -z+2; (iii) -x+1, -y+1, -z+1.

Data collection: CrysAlis CCD (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]); data reduction: CrysAlis RED; 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.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: PLATON.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT6888 ).


Acknowledgements

KA is thankful to the CSIR, New Delhi (Lr: No. 01 (2570)/12/EMR-II/3.4.2012) for financial support through a major research project. The authors are thankful to the Department of Chemistry, Pondicherry University, for the single-crystal XRD instrumentation facility.

References

Anbalagan, K., Tamilselvan, M., Nirmala, S. & Sudha, L. (2009). Acta Cryst. E65, m836-m837.  [CSD] [CrossRef] [ChemPort] [details]
Bailar, J. C. & Work, J. B. (1946). J. Am. Chem. Soc. 68, 232-235.  [CrossRef] [ChemPort] [ISI]
Chang, E. L., Simmers, C. & Andrew Knight, D. (2010). Pharmaceuticals, 3, 1711-1728.  [CrossRef] [ChemPort]
Desiraju, G. R. (1995). Angew. Chem. Int. Ed. Engl. 34, 2311-2327.  [CrossRef] [ChemPort] [ISI]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Khlobystov, A. N., Blake, A. J., Champness, N. R., Lemenovskii, D. A., Majouga, A. G., Zyk, N. V. & Schroder, M. (2001). Coord. Chem. Rev. 222, 155-192.  [ISI] [CrossRef] [ChemPort]
Lee, D. N., Lee, E. Y., Kim, C., Kim, S.-J. & Kim, Y. (2007). Acta Cryst. E63, m1949-m1950.  [CSD] [CrossRef] [details]
Lehn, J. M. (1995). In Supramolecular Chemistry. Concepts and Perspectives. Weinheim: VCH.
Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.
Ramesh, P., SubbiahPandi, A., Jothi, P., Revathi, C. & Dayalan, A. (2008). Acta Cryst. E64, m300-m301.  [CSD] [CrossRef] [ChemPort] [details]
Ravichandran, K., Ramesh, P., Tamilselvan, M., Anbalagan, K. & Ponnuswamy, M. N. (2009). Acta Cryst. E65, m1174-m1175.  [CSD] [CrossRef] [ChemPort] [details]
Seo, J. S., Whang, D., Lee, H., Jun, S. I., Oh, J., Jeon, Y. J. & Kim, K. (2000). Nature (London), 404, 982-986.  [PubMed] [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, m170-m171   [ doi:10.1107/S1600536813004650 ]

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