trans-Dibromidobis(3-methyl­pyridine-κN)copper(II)

Awwadi, F.F.

doi:10.1107/S1600536813001414

Volume 69
Part 2
Page m116
February 2013

Received 6 January 2013
Accepted 14 January 2013
Online 19 January 2013

Key indicators
Single-crystal X-ray study
T = 85 K
Mean (C-C) = 0.006 Å
R = 0.032
wR = 0.075
Data-to-parameter ratio = 19.2
Details

trans-Dibromidobis(3-methylpyridine-N)copper(II)

Firas F. Awwadi ^a ^*

^aDepartment of Chemistry, The University of Jordan, Amman 11942, Jordan
Correspondence e-mail: f.awwadi@ju.edu.jo

The asymmetric unit of the title compound, [CuBr₂(C₆H₇N)₂], contains one half-molecule, the whole molecule being generated by inversion through a center located at the Cu^II atom. The geometry around the Cu^II atom is square planar. Semicoordinate CuBr bonds [3.269 (1) Å] and nonclassical C-HBr hydrogen bonds connect the molecules, forming chains running parallel to the a axis. These chains are further linked via additional C-HBr hydrogen bonds into a three-dimensional network.

Related literature

The title compound was prepared to investigate chloro-methyl and bromo-methyl exchange rules in the crystal structures of [Cu(3YP)₂Br₂] complexes (where 3YP = 3-substituted pyridine and Y = Cl, Br and methyl), see: Awwadi et al. (2006, 2011). Desiraju showed that the chloro-methyl exchange rule is obeyed if the final structure is stabilized by dispersive forces, see: Desiraju & Sarma (1986). For related structures, see: Marsh et al. (1981, 1982); Singh et al. (1972).

Experimental

Crystal data

[CuBr₂(C₆H₇N)₂]
M_r = 409.61
Monoclinic, P 2₁ /c
a = 4.0171 (8) Å
b = 14.105 (3) Å
c = 11.899 (2) Å
= 92.54 (3)°
V = 673.5 (2) Å³
Z = 2
Mo K radiation
= 7.53 mm^-1
T = 85 K
0.24 × 0.03 × 0.03 mm

Data collection

Bruker/Siemens SMART APEX diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.265, T_max = 0.806
5995 measured reflections
1536 independent reflections
1283 reflections with I > 2(I)
R_int = 0.044

Refinement

R[F² > 2(F²)] = 0.032
wR(F²) = 0.075
S = 1.01
1536 reflections
80 parameters
H-atom parameters constrained
_max = 0.97 e Å^-3
_min = -0.47 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C2-H2Br1ⁱ	0.95	2.83	3.549 (4)	133
C6-H6Br1ⁱⁱ	0.95	2.79	3.529 (4)	135
C5-H5Br1ⁱⁱⁱ	0.95	2.99	3.668 (4)	130
Symmetry codes: (i) x+1, y, z; (ii) -x, -y, -z+2; (iii) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2002); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LR2097 ).

Acknowledgements

The author thanks Brendan Twamley for collecting the X-ray diffraction data set.

References

Awwadi, F. F., Willett, R. D., Haddad, S. F. & Twamley, B. (2006). Cryst. Growth Des. 6, 1833-1838.
Awwadi, F. F., Willett, R. D. & Twamley, B. (2011). Cryst. Growth Des. 11, 5316-5323.
Bruker (2002). SMART. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2001). SADABS and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Desiraju, D. & Sarma, J. A. (1986). Proc. Indian Acad. Sci. (Chem. Sci.), 96, 599-605.
Marsh, W. E., Hatfield, W. E. & Hodgson, D. J. (1982). Inorg. Chem. 21, 2679-2684.
Marsh, W. E., Valente, E. J. & Hodgson, D. J. (1981). Inorg. Chim. Acta, 51, 49-53.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Singh, P., Jeter, D. Y., Hatfield, W. E. & Hodgson, D. J. (1972). Inorg. Chem. 11, 1657-1661.

metal-organic compounds