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

Maheshwaran, V.; Thiruselvam, V.; Manjunathan, M.; Anbalagan, K.; Ponnuswamy, M.N.G.

doi:10.1107/S1600536813004650

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 (C-C) = 0.003 Å
R = 0.025
wR = 0.060
Data-to-parameter ratio = 14.0
Details

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

Velusamy Maheshwaran,^a Viswanathan Thiruselvam,^a Munisamy Manjunathan,^b Krishnamoorthy Anbalagan ^b and Mondikalipudur Nanjappa Gounder Ponnuswamy ^a ^*

^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 Co^III 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-HCl hydrogen bonds, forming a layered arrangement parallel to (1-10).

Related literature

For supramolecular structures, see: Desiraju (1995); Khlobystov et al. (2001); Lehn (1995); Seo et al. (2000). For Co^III complexes, see: Chang et al. (2010). For related and comparable structures, see: Anbalagan et al. (2009); Lee et al. (2007); Ramesh et al. (2008); Ravichandran et al. (2009). For the preparation of (1,3-diaminopropane)cobalt(III), see: Bailar & Work (1946).

Experimental

Crystal data

[CoCl(C₂H₇N)(C₃H₁₀N₂)₂]Cl₂
M_r = 358.63
Triclinic, $[P \overline 1]$
a = 7.8847 (4) Å
b = 8.0627 (4) Å
c = 12.6526 (5) Å
= 102.780 (3)°
= 99.936 (4)°
= 92.580 (4)°
V = 769.76 (6) Å³
Z = 2
Mo K radiation
= 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 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]$ ) T_min = 0.600, T_max = 1.000
4965 measured reflections
2711 independent reflections
2299 reflections with I > 2(I)
R_int = 0.018

Refinement

R[F² > 2(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
_max = 0.30 e Å^-3
_min = -0.35 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2DCl2ⁱ	0.84 (2)	2.77 (2)	3.5033 (19)	145.6 (18)
N3-H3CCl2ⁱ	0.79 (2)	2.49 (2)	3.275 (2)	168 (2)
N1-H1DCl2ⁱⁱ	0.82 (2)	2.52 (2)	3.3278 (19)	173.2 (18)
N3-H3DCl2ⁱⁱ	0.87 (2)	2.72 (2)	3.472 (2)	145.6 (18)
N4-H4CCl3ⁱⁱⁱ	0.88 (2)	2.40 (2)	3.261 (2)	163.7 (19)
N5-H5DCl3ⁱⁱⁱ	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); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009); 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.
Bailar, J. C. & Work, J. B. (1946). J. Am. Chem. Soc. 68, 232-235.
Chang, E. L., Simmers, C. & Andrew Knight, D. (2010). Pharmaceuticals, 3, 1711-1728.
Desiraju, G. R. (1995). Angew. Chem. Int. Ed. Engl. 34, 2311-2327.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.
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.
Lee, D. N., Lee, E. Y., Kim, C., Kim, S.-J. & Kim, Y. (2007). Acta Cryst. E63, m1949-m1950.
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.
Ravichandran, K., Ramesh, P., Tamilselvan, M., Anbalagan, K. & Ponnuswamy, M. N. (2009). Acta Cryst. E65, m1174-m1175.
Seo, J. S., Whang, D., Lee, H., Jun, S. I., Oh, J., Jeon, Y. J. & Kim, K. (2000). Nature (London), 404, 982-986.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

metal-organic compounds