Bis(4-methyl­morpholin-4-ium) tetra­bromidozincate(II)

Peng, C.; Li, Y.

doi:10.1107/S1600536811026766

Volume 67
Part 8
Page m1056
August 2011

Received 15 June 2011
Accepted 5 July 2011
Online 9 July 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.009 Å
R = 0.047
wR = 0.096
Data-to-parameter ratio = 25.5
Details

Bis(4-methylmorpholin-4-ium) tetrabromidozincate(II)

Cong-hu Peng ^a ^* and Yun-peng Li ^b

^aDepartment of Chemical & Environmental Engineering, Anyang Institute of Technology, Anyang 455000, People's Republic of China, and ^bAnyang Administration of Work Safety, Anyang 455000, People's Republic of China
Correspondence e-mail: ayitpch@yahoo.com.cn

The title compound, (C₅H₁₂NO)₂[ZnBr₄], was synthesized by hydrothermal reaction of ZnBr₂ with 4-methylmorpholine in a HBr/distilled water solution. Each of the two independent cations exhibits a chair conformation; the anion deviates slightly from an tetrahedral configuration. The Zn-Br distances in the anion are in the range of 2.3996 (9)-2.4247 (9) Å. All of the amine H atoms are involved in bifurcated intermolecular N-HBr hydrogen bonds, building up a trimer.

Related literature

For the preparation of amino coordination compounds, see: Fu et al. (2009); Aminabhavi et al. (1986).

Experimental

Crystal data

(C₅H₁₂NO)₂[ZnBr₄]
M_r = 589.32
Monoclinic, P 2₁ /c
a = 7.5000 (15) Å
b = 20.925 (4) Å
c = 12.670 (3) Å
= 103.33 (3)°
V = 1934.8 (7) Å³
Z = 4
Mo K radiation
= 9.53 mm^-1
T = 298 K
0.30 × 0.02 × 0.01 mm

Data collection

Rigaku Mercury2 diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.810, T_max = 0.900
19809 measured reflections
4439 independent reflections
3118 reflections with I > 2(I)
R_int = 0.079

Refinement

R[F² > 2(F²)] = 0.047
wR(F²) = 0.096
S = 1.07
4439 reflections
174 parameters
H-atom parameters constrained
_max = 0.58 e Å^-3
_min = -0.78 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1Br2ⁱ	0.90	2.70	3.427 (4)	138
N1-H1Br3ⁱ	0.90	2.87	3.541 (4)	132
N2-H2Br4	0.90	2.72	3.504 (4)	147
N2-H2Br1	0.90	3.08	3.714 (4)	129
Symmetry code: (i) -x, -y+1, -z+2.

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; 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: RU2007 ).

Acknowledgements

This work was supported by the start-up fund of Anyang Institute of Technology.

References

Aminabhavi, T. M., Biradar, N. S. & Patil, S. B. (1986). Inorg. Chim. Acta, 125, 125-128.
Fu, D.-W., Ge, J.-Z., Dai, J., Ye, H.-Y. & Qu, Z.-R. (2009). Inorg. Chem. Commun. 12, 994-997.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds