Dibromido{(E)-2-eth­oxy-6-[3-(methyl­ammonio)propyl­iminometh­yl]phenol­ato}zinc(II)

Zhu, X.-W.; Yang, X.-Z.

doi:10.1107/S1600536808023672

Volume 64
Part 8
Pages m1092-m1093
August 2008

Received 25 July 2008
Accepted 27 July 2008
Online 31 July 2008

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.014 Å
R = 0.068
wR = 0.222
Data-to-parameter ratio = 20.7
Details

Dibromido{(E)-2-ethoxy-6-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II)

Xue-Wen Zhu ^a ^* and Xu-Zhao Yang ^a

^aKey Laboratory of Surface and Interface Science of Henan, School of Materials and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002, People's Republic of China
Correspondence e-mail: xuewen_zhu@126.com

The title complex, [ZnBr₂(C₁₃H₂₀N₂O₂)], is a mononuclear zinc(II) compound derived from the zwitterionic form of the Schiff base (E)-2-ethoxy-6-((3-(methylamino)propylimino)methyl)phenol. The Zn^II atom is four-coordinated by the imine N and phenolate O atoms of the Schiff base ligand, and by two bromide ions, in a tetrahedral coordination geometry. Adjacent molecules are linked through intermolecular N-HO hydrogen bonds, forming chains running along the b axis.

Related literature

For background to the chemistry of the Schiff base complexes, see: Ali et al. (2008); Biswas et al. (2008); Chen et al. (2008); Darensbourg & Frantz (2007); Habibi et al. (2007); Kawamoto et al. (2008); Lipscomb & Sträter (1996); Tomat et al. (2007); Wu et al. (2008); Yuan et al. (2007). For related structures, see: Qiu (2006); Wei et al. (2007); Zhu et al. (2007).

Experimental

Crystal data

[ZnBr₂(C₁₃H₂₀N₂O₂)]
M_r = 461.50
Monoclinic, C 2/c
a = 17.884 (3) Å
b = 14.374 (2) Å
c = 14.992 (2) Å
= 114.482 (3)°
V = 3507.4 (9) Å³
Z = 8
Mo K radiation
= 5.96 mm^-1
T = 298 (2) K
0.23 × 0.21 × 0.21 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2004) T_min = 0.341, T_max = 0.367 (expected range = 0.265-0.286)
14138 measured reflections
3787 independent reflections
1974 reflections with I > 2(I)
R_int = 0.068

Refinement

R[F² > 2(F²)] = 0.067
wR(F²) = 0.222
S = 1.00
3787 reflections
183 parameters
H-atom parameters constrained
_max = 1.12 e Å^-3
_min = -0.90 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Zn1-O1	1.958 (5)
Zn1-N1	2.014 (6)
Zn1-Br1	2.3429 (16)
Zn1-Br2	2.4046 (18)

O1-Zn1-N1	95.3 (2)
O1-Zn1-Br1	115.26 (16)
N1-Zn1-Br1	113.83 (19)
O1-Zn1-Br2	113.02 (17)
N1-Zn1-Br2	113.09 (19)
Br1-Zn1-Br2	106.38 (6)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2BO1ⁱ	0.90	1.84	2.697 (8)	158
N2-H2BO2ⁱ	0.90	2.40	3.005 (8)	124
Symmetry code: (i) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ2525 ).

References

Ali, H. M., Mohamed Mustafa, M. I., Rizal, M. R. & Ng, S. W. (2008). Acta Cryst. E64, m718-m719.
Biswas, C., Drew, M. G. B. & Ghosh, A. (2008). Inorg. Chem. 47, 4513-4519.
Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, Z., Morimoto, H., Matsunaga, S. & Shibasaki, M. (2008). J. Am. Chem. Soc. 130, 2170-2171.
Darensbourg, D. J. & Frantz, E. B. (2007). Inorg. Chem. 46, 5967-5978.
Habibi, M. H., Askari, E., Chantrapromma, S. & Fun, H.-K. (2007). Acta Cryst. E63, m2905-m2906.
Kawamoto, T., Nishiwaki, M., Tsunekawa, Y., Nozaki, K. & Konno, T. (2008). Inorg. Chem. 47, 3095-3104.
Lipscomb, W. N. & Sträter, N. (1996). Chem. Rev. 96, 2375-2434.
Qiu, X.-Y. (2006). Acta Cryst. E62, m717-m718.
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tomat, E., Cuesta, L., Lynch, V. M. & Sessler, J. L. (2007). Inorg. Chem. 46, 6224-6226.
Wei, Y.-J., Wang, F.-W. & Zhu, Q.-Y. (2007). Acta Cryst. E63, m654-m655.
Wu, J.-C., Liu, S.-X., Keene, T. D., Neels, A., Mereacre, V., Powell, A. K. & Decurtins, S. (2008). Inorg. Chem. 47, 3452-3459.
Yuan, M., Zhao, F., Zhang, W., Wang, Z.-M. & Gao, S. (2007). Inorg. Chem. 46, 11235-11242.
Zhu, Q.-Y., Wei, Y.-J. & Wang, F.-W. (2007). Acta Cryst. E63, m1431-m1432.

metal-organic compounds