Dibromido(6-methyl-2,2′-bipyridine-κ2N,N′)cobalt(II)

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

doi:10.1107/S1600536812045230

Volume 68
Part 12
Page m1460
December 2012

Received 26 October 2012
Accepted 1 November 2012
Online 7 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.018 Å
R = 0.085
wR = 0.164
Data-to-parameter ratio = 17.4
Details

Dibromido(6-methyl-2,2'-bipyridine-²N,N')cobalt(II)

Sadif A. Shirvan,^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 molecule of the title compound, [CoBr₂(C₁₁H₁₀N₂)], the Co^II atom is four-coordinated in a distorted tetrahedral geometry by two N atoms from a chelating 6-methyl-2,2'-bipyridine ligand and two terminal Br atoms. In the crystal, [pi] - [pi] stacking interactions between the pyridine rings along the a-axis direction [centroid-centroid distance = 3.761 (7) Å] and C-HBr hydrogen bonds in the bc plane together generate the three-dimensional packing.

Related literature

For related structures, see: Ahmadi et al. (2008a,b, 2009); Amani et al. (2009); Kalateh et al. (2010); Newkome et al. (1982); Onggo et al. (2005); Shirvan et al. (2012); Shirvan & Haydari Dezfuli (2012).

Experimental

Crystal data

[CoBr₂(C₁₁H₁₀N₂)]
M_r = 388.94
Monoclinic, P 2₁ /n
a = 7.5541 (7) Å
b = 9.7249 (7) Å
c = 17.7352 (16) Å
= 97.392 (7)°
V = 1292.05 (19) Å³
Z = 4
Mo K radiation
= 7.49 mm^-1
T = 173 K
0.45 × 0.13 × 0.10 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.379, T_max = 0.512
6393 measured reflections
2519 independent reflections
1546 reflections with I > 2(I)
R_int = 0.099

Refinement

R[F² > 2(F²)] = 0.085
wR(F²) = 0.164
S = 1.05
2519 reflections
145 parameters
H-atom parameters constrained
_max = 2.16 e Å^-3
_min = -1.13 e Å^-3

Table 1
Selected bond lengths (Å)

Co1-Br1	2.352 (2)
Co1-Br2	2.3698 (19)
Co1-N1	2.035 (10)
Co1-N2	2.029 (8)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C1-H1ABr1ⁱ	0.96	2.89	3.849 (14)	178
C8-H8Br2ⁱⁱ	0.93	2.89	3.771 (14)	158
Symmetry codes: (i) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) -x+1, -y+1, -z.

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: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2600 ).

Acknowledgements

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

References

Ahmadi, R., Ebadi, A., Kalateh, K., Norouzi, A. & Amani, V. (2008a). Acta Cryst. E64, m1407.
Ahmadi, R., Kalateh, K., Abedi, A., Amani, V. & Khavasi, H. R. (2008b). Acta Cryst. E64, m1306-m1307.
Ahmadi, R., Kalateh, K., Alizadeh, R., Khoshtarkib, Z. & Amani, V. (2009). Acta Cryst. E65, m1169-m1170.
Amani, V., Safari, N., Khavasi, H. R. & Akkurt, M. (2009). Polyhedron, 28, 3026-3030.
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Kalateh, K., Ahmadi, R. & Amani, V. (2010). Acta Cryst. E66, m1241.
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.
Newkome, G. R., Fronczek, F. R., Gupta, V. K., Puckett, W. E., Pantaleo, D. C. & Kiefer, G. E. (1982). J. Am. Chem. Soc. 104, 1782-1783.
Onggo, D., Scudder, M. L., Craig, D. C. & Goodwin, H. A. (2005). J. Mol. Struct. 738, 129-136.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Shirvan, S. A. & Haydari Dezfuli, S. (2012). Acta Cryst. E68, m1124.
Shirvan, S. A., Haydari Dezfuli, S., Golabi, E. & Gholamzadeh, M. A. (2012). Acta Cryst. E68, m1327-m1328.

metal-organic compounds

Dibromido(6-methyl-2,2'-bipyridine-2N,N')cobalt(II)