Dibromido(2,3,5,6-tetra-2-pyridyl­pyrazine-κ3N2,N1,N6)zinc(II)

Ahmadi, R.; Kalateh, K.; Amani, V.

doi:10.1107/S1600536810027820

Volume 66
Part 8
Pages m959-m960
August 2010

Received 11 July 2010
Accepted 13 July 2010
Online 17 July 2010

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.007 Å
R = 0.051
wR = 0.126
Data-to-parameter ratio = 21.5
Details

Dibromido(2,3,5,6-tetra-2-pyridylpyrazine-³N²,N¹,N⁶)zinc(II)

Roya Ahmadi,^a Khadijeh Kalateh ^a and Vahid Amani ^a ^*

^aIslamic Azad University, Shahr-e-Rey Branch, Tehran, Iran
Correspondence e-mail: v_amani2002@yahoo.com

In the title compound, [ZnBr₂(C₂₄H₁₆N₆)], the Zn^II ion is coordinated by the N,N',N''-tridentate 2,3,5,6-tetra-2-pyridylpyrazine ligand and two bromide ions, generating a distorted ZnN₃Br₂ trigonal-bipyramidal geometry for the metal ion, with both bromide ions in equatorial sites. The dihedral angles between the pyrazine ring and the coordinated pyridine rings are 13.3 (2) and 24.8 (2)°; those between the pyrazine ring and the uncoordinated pyradine rings are 31.3 (2) and 44.2 (2)°. In the crystal, inversion dimers linked by pairs of weak C-HBr hydrogen bonds occur.

Related literature

For the synthesis of the ligand, see: Goodwin & Lyons (1959). For the structure of the free ligand, see Bock et al. (1992); Greaves & Stoeckli-Evans (1992). For related structures, see: Alizadeh et al. (2009); Carranza et al. (2004); Graf et al. (1993, 1997); Hadadzadeh et al. (2006); Laine et al. (1995); Morsali & Ramazani (2005); Sakai & Kurashima (2003); Seyed Sadjadi et al. (2008); Yamada et al. (2000); Zhang et al. (2005).

Experimental

Crystal data

[ZnBr₂(C₂₄H₁₆N₆)]
M_r = 613.62
Triclinic, $[P \overline 1]$
a = 10.3985 (8) Å
b = 10.5378 (8) Å
c = 12.3034 (10) Å
= 64.898 (6)°
= 83.187 (6)°
= 77.901 (6)°
V = 1193.05 (16) Å³
Z = 2
Mo K radiation
= 4.40 mm^-1
T = 298 K
0.50 × 0.40 × 0.28 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1998) T_min = 0.206, T_max = 0.369
13823 measured reflections
6412 independent reflections
4954 reflections with I > 2(I)
R_int = 0.049

Refinement

R[F² > 2(F²)] = 0.051
wR(F²) = 0.126
S = 1.14
6412 reflections
298 parameters
H-atom parameters constrained
_max = 0.89 e Å^-3
_min = -0.91 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Zn1-N2	2.151 (3)
Zn1-N6	2.177 (3)
Zn1-N1	2.202 (3)
Zn1-Br1	2.3692 (7)
Zn1-Br2	2.3880 (6)

N2-Zn1-N6	73.75 (10)
N2-Zn1-N1	72.96 (11)
N6-Zn1-N1	146.71 (11)
N2-Zn1-Br1	125.38 (8)
N6-Zn1-Br1	102.12 (9)
N1-Zn1-Br1	97.43 (10)
N2-Zn1-Br2	118.61 (8)
N6-Zn1-Br2	97.55 (9)
N1-Zn1-Br2	97.76 (10)
Br1-Zn1-Br2	115.93 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C11-H11Br2ⁱ	0.93	2.88	3.791 (7)	166
Symmetry code: (i) -x+2, -y+1, -z+2.

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; 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: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5552 ).

Acknowledgements

We are grateful to the Islamic Azad University, Shahr-e-Rey Branch, for financial support.

References

Alizadeh, R., Khoshtarkib, Z., Chegeni, K., Ebadi, A. & Amani, V. (2009). Acta Cryst. E65, m1311.
Bock, H., Vaupel, T., Näther, C., Ruppert, K. & Havlas, Z. (1992). Angew. Chem. Int. Ed. 31, 299-301.
Bruker (1998). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Carranza, J., Sletten, J., Brennan, C., Lloret, F., Canoa, J. & Julve, M. (2004). Dalton Trans. pp. 3997-4005.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
Goodwin, H. A. & Lyons, F. (1959). J. Am. Chem. Soc. 81, 6415-6422.
Graf, M., Greaves, B. & Stoeckli-Evans, H. (1993). Inorg. Chim. Acta, 204, 239-246.
Graf, M., Stoeckli-Evans, H., Escuer, A. & Vicente, R. (1997). Inorg. Chim. Acta, 257, 89-97.
Greaves, B. & Stoeckli-Evans, H. (1992). Acta Cryst. C48, 2269-2271.
Hadadzadeh, H., Yap, G. P. A. & Crutchley, R. J. (2006). Acta Cryst. E62, m2002-m2004.
Laine, P., Gourdon, A. & Launay, J.-P. (1995). Inorg. Chem. 34, 5156-5165.
Morsali, A. & Ramazani, A. (2005). Z. Anorg. Allg. Chem. 631, 1759-1760.
Sakai, K. & Kurashima, M. (2003). Acta Cryst. E59, m411-m413.
Seyed Sadjadi, M., Ebadi, A., Zare, K., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1050-m1051.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Yamada, Y., Miyashita, Y., Fujisawa, K. & Okamoto, K. (2000). Bull. Chem. Soc. Jpn, 73, 1843-1844.
Zhang, L., Zhao, X.-H. & Zhao, Y. (2005). Acta Cryst. E61, m1760-m1761.