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Volume 64 
Part 2 
Pages m300-m301  
February 2008  

Received 10 November 2007
Accepted 25 December 2007
Online 4 January 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.002 Å
R = 0.025
wR = 0.058
Data-to-parameter ratio = 29.5
Details
Open access

Dichlorido(dimethylglyoximato-[kappa]2N,N')(dimethylglyoxime-[kappa]2N,N')cobalt(III)

aDepartment of Physics, Presidency College (Autonomous), Chennai 600 005, India, and bDepartment of Chemistry, Loyola College (Autonomous), Chennai 600 034, India
Correspondence e-mail: a_spandian@yahoo.com

In the title compound, [Co(C4H7N2O2)Cl2(C4H8N2O2)], the CoIII ion has a distorted octahedral coordination environment. The equatorial plane consists of four N atoms, two each from the dimethylglyoxime and dimethylglyoximate ligands, while the two axial positions are occupied by two chloride ions. Strong intramolecular O-H...O hydrogen bonds are observed between the dimethylglyoxime and dimethylglyoximate ligands. Molecules are linked into a chain running along the [101] direction by O-H...O and C-H...Cl hydrogen bonds. The chains are cross-linked through intermolecular C-H...Cl hydrogen bonds.

Related literature

For related literature, see: Dayalan & Vijayaraghavan (2001[Dayalan, A. & Vijayaraghavan, V. R. (2001). Indian J. Chem. Sect. A 40, 959-964.]); Lee et al. (2007[Lee, D. N., Lee, E. Y., Kim, C., Kim, S.-J. & Kim, Y. (2007). Acta Cryst. E63, m1949-m1950.]); Gupta et al. (2000[Gupta, B. D., Singh, V., Quanango, K., Vijay Kanth, V., Yamuna, R., Barclay, T. & Cordes, W. (2000). J. Organomet. Chem. 602, 1-4.], 2001[Gupta, B. D., Tiwari, U., Barley, T. & Cordes, W. (2001). J. Organomet. Chem. 629, 83-92.], 2004[Gupta, B. D., Vijaykanth, V. & Singh, V. (2004). Organometallics, 23, 2067-2079.]); Ohkubo & Fukuzumi (2005[Ohkubo, K. & Fukuzumi, S. (2005). J. Phys. Chem. 109, 1105-1113.]); Razavelt et al. (2005[Razavelt, M., Artero, V. & Fentcave, M. (2005). Inorg. Chem. 44, 4786-4795.]). Trommel et al. (2001[Trommel, J. S., Warncke, K. & Marzilli, L. G. (2001). J. Am. Chem. Soc. 123, 3358-3366.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C4H7N2O2)Cl2(C4H8N2O2)]

  • Mr = 361.07

  • Monoclinic, P n

  • a = 8.1901 (2) Å

  • b = 8.1261 (2) Å

  • c = 10.4463 (3) Å

  • [beta] = 102.007 (1)°

  • V = 680.03 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.67 mm-1

  • T = 293 (2) K

  • 0.20 × 0.12 × 0.12 mm

Data collection
  • Bruker-Nonius Kappa-APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 1999[Bruker (1999). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.786, Tmax = 0.819

  • 10990 measured reflections

  • 5284 independent reflections

  • 4711 reflections with I > 2[sigma](I)

  • Rint = 0.021

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

  • wR(F2) = 0.057

  • S = 0.99

  • 5284 reflections

  • 179 parameters

  • 2 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.56 e Å-3

  • [Delta][rho]min = -0.29 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 2067 Friedel pairs

  • Flack parameter: 0.008 (7)

Table 1
Selected bond lengths (Å)

Cl1-Co 2.2292 (4)
Cl2-Co 2.2261 (4)
Co-N2 1.8870 (12)
Co-N3 1.9048 (13)
Co-N1 1.9051 (12)
Co-N4 1.9181 (12)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3...O1 0.82 1.81 2.5875 (16) 158
O4-H4...O2 0.82 1.89 2.6604 (18) 156
O2-H2...O1i 0.82 1.73 2.5297 (17) 163
C4-H4C...Cl1i 0.96 2.73 3.6473 (19) 160
C5-H5A...Cl1ii 0.96 2.67 3.6317 (18) 175
Symmetry codes: (i) [x-{\script{1\over 2}}, -y, z-{\script{1\over 2}}]; (ii) [x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}].

Data collection: APEX2 (Bruker-Nonius, 2004[Bruker-Nonius (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: APEX2; data reduction: SAINT (Bruker-Nonius, 2004[Bruker-Nonius (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); 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 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI2517 ).


Acknowledgements

The authors are grateful to Dr S. Ramanathan, Principal, Presidency College (Autonomous), Chennai, India, and Rev. Fr A. Albert Muthumalai, S. J., Principal, Loyola College (Autonomous), Chennai, India, for providing the necessary facilities. The Head, SAIF, CDRI, Lucknow, India, is thanked for supplying the elemental analysis data and the Head, SAIF, IIT Madras, Chennai, India, for recording the NMR spectra and for the X-ray data collection.

References

Bruker (1999). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker-Nonius (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Dayalan, A. & Vijayaraghavan, V. R. (2001). Indian J. Chem. Sect. A 40, 959-964.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Gupta, B. D., Singh, V., Quanango, K., Vijay Kanth, V., Yamuna, R., Barclay, T. & Cordes, W. (2000). J. Organomet. Chem. 602, 1-4.  [CrossRef] [ChemPort]
Gupta, B. D., Tiwari, U., Barley, T. & Cordes, W. (2001). J. Organomet. Chem. 629, 83-92.  [CSD] [CrossRef] [ChemPort]
Gupta, B. D., Vijaykanth, V. & Singh, V. (2004). Organometallics, 23, 2067-2079.  [CrossRef]
Lee, D. N., Lee, E. Y., Kim, C., Kim, S.-J. & Kim, Y. (2007). Acta Cryst. E63, m1949-m1950.  [CSD] [CrossRef] [details]
Ohkubo, K. & Fukuzumi, S. (2005). J. Phys. Chem. 109, 1105-1113.  [ChemPort]
Razavelt, M., Artero, V. & Fentcave, M. (2005). Inorg. Chem. 44, 4786-4795.  [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.  [CrossRef] [details]
Trommel, J. S., Warncke, K. & Marzilli, L. G. (2001). J. Am. Chem. Soc. 123, 3358-3366.  [ISI] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2008). E64, m300-m301   [ doi:10.1107/S1600536807068407 ]