Dibromido{2-[2-(piperidinium-1-yl)ethyl­imino­meth­yl]phenolato}zinc(II) monohydrate

Wei, Y.-J.; Wang, F.-W.; Zhu, Q.-Y.

doi:10.1107/S1600536808015730

Volume 64
Part 7
Pages m859-m860
July 2008

Received 22 May 2008
Accepted 26 May 2008
Online 7 June 2008

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.007 Å
R = 0.038
wR = 0.091
Data-to-parameter ratio = 20.0
Details

Dibromido{2-[2-(piperidinium-1-yl)ethyliminomethyl]phenolato}zinc(II) monohydrate

Yi-Jun Wei,^a ^* Feng-Wu Wang ^a and Qi-Yong Zhu ^a

^aDepartment of Chemistry, Huainan Normal College, Huainan 232001, People's Republic of China
Correspondence e-mail: huainanweiyijun@163.com

The asymmetric unit of the title compound, [ZnBr₂(C₁₄H₂₀N₂O)]·H₂O, consists of a mononuclear Schiff base zinc(II) complex molecule and a solvent water molecule. The Zn^II atom is four-coordinated in an approximately tetrahedral geometry, binding to the imine N and phenolate O atoms of the neutral zwitterionic Schiff base ligand and to two terminal Br^- anions. In the crystal structure, molecules are linked through intermolecular O-HBr and O-HO hydrogen bonds, forming chains running along the b axis.

Related literature

For the background to Schiff base zinc(II) complexes, see: Bhosekar et al. (2006); Chisholm et al. (2001); Jian et al. (2004); Lacroix et al. (1996); Tatar et al. (2002). For related structures, see: Ma, Gu et al. (2006); Ma, Lv et al. (2006); Peng & Hou (2006); Peng et al. (2006); Wei et al. (2007); Zhang et al. (2008); Zhu et al. (2007).

Experimental

Crystal data

[ZnBr₂(C₁₄H₂₀N₂O)]·H₂O
M_r = 475.53
Triclinic, $[P \overline 1]$
a = 9.2997 (18) Å
b = 10.1776 (17) Å
c = 11.1667 (18) Å
= 71.510 (2)°
= 71.215 (2)°
= 67.571 (2)°
V = 901.8 (3) Å³
Z = 2
Mo K radiation
= 5.80 mm^-1
T = 298 (2) K
0.20 × 0.20 × 0.18 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.390, T_max = 0.422 (expected range = 0.326-0.352)
5468 measured reflections
3983 independent reflections
2891 reflections with I > 2(I)
R_int = 0.016

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.091
S = 1.02
3983 reflections
199 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.72 e Å^-3
_min = -0.55 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Zn1-O1	1.936 (2)
Zn1-N1	2.024 (3)
Zn1-Br1	2.3417 (7)
Zn1-Br2	2.3991 (7)

O1-Zn1-N1	93.91 (11)
O1-Zn1-Br1	116.12 (8)
N1-Zn1-Br1	113.04 (8)
O1-Zn1-Br2	109.78 (8)
N1-Zn1-Br2	108.84 (9)
Br1-Zn1-Br2	113.42 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2O2	0.90 (4)	1.89 (4)	2.777 (4)	169 (4)
O2-H2ABr2ⁱ	0.85 (4)	2.57 (4)	3.399 (3)	165 (4)
O2-H2BO1ⁱⁱ	0.86 (3)	1.93 (4)	2.762 (4)	165 (5)
Symmetry codes: (i) x, y+1, z; (ii) -x+2, -y, -z.

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); 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: SJ2508 ).

Acknowledgements

The authors thank the Education Office of Anhui Province, People's Republic of China, for research grant No. KJ2007A126ZC.

References

Bhosekar, G., Jess, I. & Näther, C. (2006). Acta Cryst. E62, m2073-m2074.
Bruker (2002). SMART, SAINT and SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.
Chisholm, M. H., Gallucci, J. C. & Zhen, H. (2001). Inorg. Chem. 40, 5051-5054.
Jian, F., Li, C., Sun, P. & Xiao, H. (2004). Acta Cryst. E60, m1811-m1812.
Lacroix, P. G., Di Bella, S. & Ledoux, I. (1996). Chem. Mater. 8, 541-545.
Ma, J.-Y., Gu, S.-H., Guo, J.-W., Lv, B.-L. & Yin, W.-P. (2006). Acta Cryst. E62, m1437-m1438.
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Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tatar, L., Atakol, O. & Ülkü, D. (2002). Acta Cryst. E58, m83-m85.
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Zhang, D.-F., Zhou, M.-H. & Yuan, C.-J. (2008). Acta Cryst. E64, m825-m826.
Zhu, Q.-Y., Wei, Y.-J. & Wang, F.-W. (2007). Acta Cryst. E63, m1431-m1432.

metal-organic compounds