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Volume 68 
Part 11 
Page m1407  
November 2012  

Received 8 October 2012
Accepted 22 October 2012
Online 27 October 2012

Key indicators
Single-crystal X-ray study
T = 120 K
Mean [sigma](C-C) = 0.014 Å
R = 0.075
wR = 0.194
Data-to-parameter ratio = 16.8
Details
Open access

Dibromido(2,9-dimethyl-1,10-phenanthroline-[kappa]2N,N')cobalt(II) acetonitrile monosolvate

aDepartment of Chemistry, Omidieh Branch, Islamic Azad University, Omidieh, Iran, and bDepartment of Petroleum Engineering, Omidieh Branch, Islamic Azad University, Omidieh, Iran
Correspondence e-mail: sadifchemist@hotmail.com

In the title compound, [CoBr2(C14H12N2)]·CH3CN, the CoII atom is four-coordinated in a distorted tetrahedral geometry by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and two terminal Br atoms. In the crystal, [pi]-[pi] contacts between the pyridine and benzene rings [centroid-centroid distances = 3.828 (5), 3.782 (5), 3.880 (5) and 3.646 (5) Å] stabilize the structure.

Related literature

For related structures, see: Akbarzadeh Torbati et al. (2010[Akbarzadeh Torbati, N., Rezvani, A. R., Safari, N., Saravani, H. & Amani, V. (2010). Acta Cryst. E66, m1284.]); Alizadeh et al. (2009[Alizadeh, R., Heidari, A., Ahmadi, R. & Amani, V. (2009). Acta Cryst. E65, m483-m484.]); Ding et al. (2006[Ding, C.-F., Miao, Y.-F., Tian, B.-Q., Li, X.-M. & Zhang, S.-S. (2006). Acta Cryst. E62, m1062-m1063.]); Fanizzi et al. (1991[Fanizzi, F. P., Intini, F. P., Maresca, L., Natile, G., Lanfranchi, M. & Tiripicchio, A. (1991). J. Chem. Soc. Dalton Trans. pp. 1007-1015.]); Lemoine et al. (2003[Lemoine, P., Viossat, B. & Daran, J.-C. (2003). Acta Cryst. E59, m17-m19.]); Robinson & Sinn (1975[Robinson, W. T. & Sinn, E. (1975). J. Chem. Soc. Dalton Trans. pp. 726-731.]).

[Scheme 1]

Experimental

Crystal data
  • [CoBr2(C14H12N2)]·C2H3N

  • Mr = 468.04

  • Monoclinic, P 21 /n

  • a = 7.6380 (5) Å

  • b = 12.7943 (6) Å

  • c = 17.9545 (11) Å

  • [beta] = 101.128 (5)°

  • V = 1721.58 (18) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 5.64 mm-1

  • T = 120 K

  • 0.35 × 0.20 × 0.15 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.259, Tmax = 0.459

  • 8417 measured reflections

  • 3366 independent reflections

  • 2345 reflections with I > 2[sigma](I)

  • Rint = 0.101

Refinement
  • R[F2 > 2[sigma](F2)] = 0.075

  • wR(F2) = 0.194

  • S = 1.02

  • 3366 reflections

  • 200 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.11 e Å-3

  • [Delta][rho]min = -1.03 e Å-3

Table 1
Selected bond lengths (Å)

Co1-N1 2.051 (8)
Co1-N2 2.036 (8)
Co1-Br1 2.3592 (14)
Co1-Br2 2.3682 (14)

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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.]) 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2596 ).


Acknowledgements

We are grateful to the Omidieh Branch, Islamic Azad University, for financial support.

References

Akbarzadeh Torbati, N., Rezvani, A. R., Safari, N., Saravani, H. & Amani, V. (2010). Acta Cryst. E66, m1284.  [CSD] [CrossRef] [details]
Alizadeh, R., Heidari, A., Ahmadi, R. & Amani, V. (2009). Acta Cryst. E65, m483-m484.  [CSD] [CrossRef] [details]
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Ding, C.-F., Miao, Y.-F., Tian, B.-Q., Li, X.-M. & Zhang, S.-S. (2006). Acta Cryst. E62, m1062-m1063.  [CSD] [CrossRef] [details]
Fanizzi, F. P., Intini, F. P., Maresca, L., Natile, G., Lanfranchi, M. & Tiripicchio, A. (1991). J. Chem. Soc. Dalton Trans. pp. 1007-1015.  [CrossRef]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Lemoine, P., Viossat, B. & Daran, J.-C. (2003). Acta Cryst. E59, m17-m19.  [CSD] [CrossRef] [details]
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]
Robinson, W. T. & Sinn, E. (1975). J. Chem. Soc. Dalton Trans. pp. 726-731.  [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1407  [ doi:10.1107/S160053681204367X ]

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