Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 10 (October 2013)

metal-organic compounds

Acta Cryst. (2013). C69, 1144-1146    [ doi:10.1107/S0108270113025043 ]

Zigzag polymer chains in catena-poly[[[triaqua(isobutyrato-[kappa]O)magnesium(II)]-[mu]-isobutyrato-[kappa]2O:O'] monohydrate]

I. L. Malaestean, S. Schmitz, A. Ellern and P. Kögerler

Abstract: The structure of the title compound, {[Mg(C4H7O2)2(H2O)3]·H2O}n, features one-dimensional ...([mu]2-ib)Mg([mu]2-ib)Mg... zigzag chains (ib is isobutyrate) parallel to the c axis. The octa­hedral Mg environment is completed by three fac-oriented terminal water ligands, as well as one further monodentate end-on coordinated ib ligand. In the crystal structure, the hydro­phobic ib groups are all oriented within one half of the coordination perimeter of each chain, whereas the water ligands, together with hydrogen-bonded non­coordinated solvent water mol­ecules, define the other half. Along the a axis, neighbouring strands are oriented so that both the hydro­philic and hydro­phobic sides are adjacent to each other. This results in an extensive hydrogen-bonding network within the hydro­philic areas, also involving an additional solvent water mol­ecule per formula unit. There are van der Waals contacts between the aliphatic isopropyl groups of the hydro­phobic areas.

CCDC reference: 960018

Formula: [Mg(C4H7O2)2(H2O)3]·H2O

Keywords: crystal structure; coordination polymers; magnesium isobutyrate.

moldisplay filedownload file

MDL mol file (42.2 kbytes)
[ doi:10.1107/S0108270113025043/fg3307Isup3.mol ]
Supplementary material

cmldisplay filedownload file

Chemical Markup Language (CML) file (5.0 kbytes)
[ doi:10.1107/S0108270113025043/fg3307Isup4.cml ]
Supplementary material


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