Tetra­aqua(2,2′-bipyridine-κ2N,N′)magnesium(II) bis­(4-bromo­benzoate)

Zhang, B.-S.; Wu, C.-S.; Xu, W.

doi:10.1107/S1600536810041474

Volume 66
Part 11
Page m1426
November 2010

Received 10 October 2010
Accepted 14 October 2010
Online 23 October 2010

Key indicators
Single-crystal X-ray study
T = 290 K
Mean (C-C) = 0.008 Å
Disorder in main residue
R = 0.056
wR = 0.174
Data-to-parameter ratio = 14.1
Details

Tetraaqua(2,2'-bipyridine-²N,N')magnesium(II) bis(4-bromobenzoate)

Bi-Song Zhang,^a ^* Chang-Sheng Wu ^a and Wei Xu ^b

^aCollege of Material Science and Chemical Engineering, Jinhua College of Profession and Technology, Jinhua, Zhejiang 321017, People's Republic of China, and ^bMunicipal Key Laboratory of Inorganic Materials Chemistry, Institute for Solid State Chemistry, Ninbo University, Ningbo, 315211, People's Republic of China
Correspondence e-mail: zbs_jy@163.com

In the complex cation of the title compound, [Mg(C₁₀H₈N₂)(H₂O)₄](C₇H₄BrO₂)₂, the Mg^II atom is coordinated by two N atoms from a 2,2'-bipyridine ligand and four water O atoms in a distorted MgN₂O₄ octahedral geometry. The cation is located on a special position on a twofold rotation axis which passes through the Mg^II atom and the centroid of the 2,2'-bipyridine ligand. The 2,2'-bipyridine ligands exhibit nearly perfect coplanarity (r.m.s. deviation = 0.0035 Å) . In the crystal, O-HO and C-HO, C-HBr hydrogen bonds and [pi] - [pi] stacking interactions [mean interplanar distance of 3.475 (6) Å between adjacent 2,2'-bipyridine ligands] link the cations and anions into a three-dimensional supramolecular network. One Br atom is disordered over two sites with occupancy factors of 0.55 and 0.45.

Related literature

For related magnesium(II) complexes with 1.10-phenanthroline and pyridine ligands, see: Halut-Desportes (1981); Hao et al. (2008); Zhang (2004).

Experimental

Crystal data

[Mg(C₁₀H₈N₂)(H₂O)₄](C₇H₄BrO₂)₂
M_r = 652.56
Monoclinic, C 2/c
a = 30.275 (6) Å
b = 12.308 (3) Å
c = 7.5785 (15) Å
= 103.90 (3)°
V = 2741.2 (11) Å³
Z = 4
Mo K radiation
= 3.03 mm^-1
T = 290 K
0.31 × 0.27 × 0.19 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.406, T_max = 0.562
10517 measured reflections
2412 independent reflections
1505 reflections with I > 2(I)
R_int = 0.063

Refinement

R[F² > 2(F²)] = 0.056
wR(F²) = 0.174
S = 1.08
2412 reflections
171 parameters
1 restraint
H-atom parameters constrained
_max = 0.88 e Å^-3
_min = -0.49 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1AO3ⁱ	0.82	1.89	2.702 (4)	172
O1-H1BO3ⁱⁱ	0.82	1.84	2.640 (4)	165
O2-H2AO4ⁱⁱⁱ	0.82	1.86	2.679 (7)	175
O2-H2BO3ⁱⁱ	0.82	2.08	2.790 (5)	145
C2-H2Br1^iv	0.93	3.00	3.525 (7)	117
C2-H2Br1'^iv	0.93	3.11	3.612 (7)	116
C3-H3O4^v	0.93	2.53	3.239 (6)	133
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z+1]$ ; (ii) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iii) $[x-{\script{1\over 2}}, y-{\script{1\over 2}}, z-1]$ ; (iv) $[x, -y+1, z+{\script{1\over 2}}]$ ; (v) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]$ .

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); 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: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RK2240 ).

Acknowledgements

The authors gratefully acknowledge the financial support of the Education Office of Zhejiang Province (grant No. 20051316) and the Scientific Research Fund of Ningbo University (grant No. XKL09078).

References

Halut-Desportes, S. (1981). Rev. Chim. Miner. 18, 199.
Hao, X.-M., Gu, C.-S., Song, W.-D. & Liu, J.-W. (2008). Acta Cryst. E64, m1052.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MS, The Woodlands Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhang, B.-S. (2004). Chin. J. Struct. Chem. 23, 1411-1415.

metal-organic compounds

Tetraaqua(2,2'-bipyridine-2N,N')magnesium(II) bis(4-bromobenzoate)