Dibromido(2,9-dimethyl-1,10-phenanthroline-κ2N,N′)cobalt(II) acetonitrile monosolvate

Shirvan, S.A.; Aghajeri, M.; Haydari Dezfuli, S.; Khazali, F.; Borsalani, A.

doi:10.1107/S160053681204367X

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 (C-C) = 0.014 Å
R = 0.075
wR = 0.194
Data-to-parameter ratio = 16.8
Details

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

Sadif A. Shirvan,^a ^* Manouchehr Aghajeri,^a Sara Haydari Dezfuli,^a Fereydoon Khazali ^a and Ali Borsalani ^b

^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 Co^II 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); Alizadeh et al. (2009); Ding et al. (2006); Fanizzi et al. (1991); Lemoine et al. (2003); Robinson & Sinn (1975).

Experimental

Crystal data

[CoBr₂(C₁₄H₁₂N₂)]·C₂H₃N
M_r = 468.04
Monoclinic, P 2₁ /n
a = 7.6380 (5) Å
b = 12.7943 (6) Å
c = 17.9545 (11) Å
= 101.128 (5)°
V = 1721.58 (18) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.259, T_max = 0.459
8417 measured reflections
3366 independent reflections
2345 reflections with I > 2(I)
R_int = 0.101

Refinement

R[F² > 2(F²)] = 0.075
wR(F²) = 0.194
S = 1.02
3366 reflections
200 parameters
H-atom parameters constrained
_max = 1.11 e Å^-3
_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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

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.
Alizadeh, R., Heidari, A., Ahmadi, R. & Amani, V. (2009). Acta Cryst. E65, m483-m484.
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.
Fanizzi, F. P., Intini, F. P., Maresca, L., Natile, G., Lanfranchi, M. & Tiripicchio, A. (1991). J. Chem. Soc. Dalton Trans. pp. 1007-1015.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Lemoine, P., Viossat, B. & Daran, J.-C. (2003). Acta Cryst. E59, m17-m19.
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.
Robinson, W. T. & Sinn, E. (1975). J. Chem. Soc. Dalton Trans. pp. 726-731.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

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