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Volume 69 
Part 7 
Pages m374-m375  
July 2013  

Received 13 April 2013
Accepted 1 June 2013
Online 12 June 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.022 Å
R = 0.073
wR = 0.238
Data-to-parameter ratio = 19.1
Details
Open access

cis-Bromido(methylamine)bis(propane-1,3-diamine)cobalt(III) dibromide

aDepartment of Physics, S.M.K. Fomra Institute of Technology, Thaiyur, Chennai 603 103, India,bDepartment of Chemistry, Pondicherry University, Pondicherry 605 014, India, and cDepartment of Physics, Presidency College (Autonomous), Chennai 600 005, India
Correspondence e-mail: a_sp59@yahoo.in

In the title compound, [CoBr(CH5N)(C3H10N2)2]Br2, the cobaltIII ion has a distorted octahedral coordination environment and is surrounded by four N atoms in the equatorial plane, with an additional N atom and the Br atom occupying the axial positions. In the crystal, the complex cation and the two counter anions are linked via N-H...Br and C-H...Br hydrogen bonds, forming a three-dimensional network.

Related literature

In the synthesis of cobalt(III) complexes, substituting an amino ligand for the MeNH2 moiety can yield complexes of similar structure, but with differing electron-transfer rates, see: Anbalagan (2011[Anbalagan, K. (2011). J. Phys. Chem. C, 115, 3821-3832.]); Anbalagan et al. (2011[Anbalagan, K., Maharaja Mahalakshmi, C. & Ganeshraja, A. S. (2011). J. Mol. Struct. 1005, 45-52.]). For the biological activity and potential applications of mixed-ligand cobalt(III) complexes, see: Arslan et al. (2009[Arslan, H., Duran, N., Borekci, G., Ozer, C. K. & Akbay, C. (2009). Molecules, 14, 519-527.]); Delehanty et al. (2008[Delehanty, J. B., Bongard, J. E., Thach, C. D., Knight, D. A., Hickeya, T. E. & Chang, E. L. (2008). Bioorg. Med. Chem. 16, 830-837.]); Sayed et al. (1992[Sayed, G. H., Radwan, A., Mohamed, S. M., Shiba, S. A. & Kalil, M. (1992). Chin. J. Chem. 10, 475-480.]); Teicher et al. (1990[Teicher, B. A., Abrams, M. J., Rosbe, K. W. & Herman, T. S. (1990). Cancer Res. 50, 6971-6975.]); Chang et al. (2010[Chang, E. L., Simmers, C. & Knight, A. D. (2010). Pharmaceuticals, 3, 1711-1728.]). For related 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 Co-N bond lengths, see: Maheshwaran et al. (2013[Maheshwaran, V., Manjunathan, M., Anbalagan, K., Thiruselvam, V. & Ponnuswamy, M. N. (2013). Acta Cryst. E69, m205-m206.]).

[Scheme 1]

Experimental

Crystal data
  • [CoBr(CH5N)(C3H10N2)2]Br2

  • Mr = 477.95

  • Monoclinic, P 21 /c

  • a = 13.4418 (2) Å

  • b = 8.3088 (1) Å

  • c = 15.1538 (2) Å

  • [beta] = 110.61 (2)°

  • V = 1584.16 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 8.64 mm-1

  • T = 293 K

  • 0.25 × 0.22 × 0.19 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, England.]) Tmin = 0.133, Tmax = 0.194

  • 6000 measured reflections

  • 2784 independent reflections

  • 1701 reflections with I > 2[sigma](I)

  • Rint = 0.042

Refinement
  • R[F2 > 2[sigma](F2)] = 0.073

  • wR(F2) = 0.238

  • S = 1.07

  • 2784 reflections

  • 146 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.50 e Å-3

  • [Delta][rho]min = -2.69 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1C...Br2i 0.90 2.67 3.489 (11) 152
N1-H1D...Br2 0.90 2.61 3.504 (10) 174
N2-H2C...Br3 0.90 2.66 3.526 (10) 162
N2-H2D...Br3ii 0.90 2.64 3.419 (10) 146
N3-H3C...Br3 0.90 2.53 3.406 (12) 164
N3-H3D...Br2 0.90 2.59 3.482 (11) 171
N4-H4C...Br2iii 0.90 2.62 3.511 (10) 170
N4-H4D...Br3ii 0.90 2.49 3.379 (11) 170
N5-H5C...Br2iii 0.90 2.77 3.632 (11) 160
N5-H5D...Br2i 0.90 2.64 3.532 (12) 170
C6-H6A...Br3iii 0.97 2.91 3.773 (16) 148
C7-H7B...Br1iv 0.96 2.90 3.766 (13) 150
Symmetry codes: (i) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) -x+2, -y, -z+1; (iii) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (iv) -x+1, -y, -z+1.

Data collection: CrysAlis CCD (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); 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.]); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RN2115 ).


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. (2011). J. Phys. Chem. C, 115, 3821-3832.  [CrossRef] [ChemPort]
Anbalagan, K., Maharaja Mahalakshmi, C. & Ganeshraja, A. S. (2011). J. Mol. Struct. 1005, 45-52.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Anbalagan, K., Tamilselvan, M., Nirmala, S. & Sudha, L. (2009). Acta Cryst. E65, m836-m837.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Arslan, H., Duran, N., Borekci, G., Ozer, C. K. & Akbay, C. (2009). Molecules, 14, 519-527.  [CrossRef] [PubMed]
Chang, E. L., Simmers, C. & Knight, A. D. (2010). Pharmaceuticals, 3, 1711-1728.  [CrossRef] [ChemPort]
Delehanty, J. B., Bongard, J. E., Thach, C. D., Knight, D. A., Hickeya, T. E. & Chang, E. L. (2008). Bioorg. Med. Chem. 16, 830-837.  [CrossRef] [PubMed] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Lee, D. N., Lee, E. Y., Kim, C., Kim, S.-J. & Kim, Y. (2007). Acta Cryst. E63, m1949-m1950.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Maheshwaran, V., Manjunathan, M., Anbalagan, K., Thiruselvam, V. & Ponnuswamy, M. N. (2013). Acta Cryst. E69, m205-m206.  [CrossRef] [ChemPort] [IUCr Journals]
Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Ramesh, P., SubbiahPandi, A., Jothi, P., Revathi, C. & Dayalan, A. (2008). Acta Cryst. E64, m300-m301.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Ravichandran, K., Ramesh, P., Tamilselvan, M., Anbalagan, K. & Ponnuswamy, M. N. (2009). Acta Cryst. E65, m1174-m1175.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Sayed, G. H., Radwan, A., Mohamed, S. M., Shiba, S. A. & Kalil, M. (1992). Chin. J. Chem. 10, 475-480.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Teicher, B. A., Abrams, M. J., Rosbe, K. W. & Herman, T. S. (1990). Cancer Res. 50, 6971-6975.  [ChemPort] [PubMed] [Web of Science]


Acta Cryst (2013). E69, m374-m375   [ doi:10.1107/S160053681301516X ]

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