Crystal structure of cis-bis-(μ-β-alanine-κ(2) O:O')bis[tri-chlorido-rhenium(III)](Re-Re) sesquihydrate.

Alexander A Golichenko,Alexander V Shtemenko,Konstantin V Domasevitch,Dina E Kytova

doi:10.1107/s2056989014026620

Alexander A Golichenko, Alexander V Shtemenko + Show 2 more

Open Access

https://doi.org/10.1107/s2056989014026620

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Abstract

The structure of the title compound, [Re2Cl6(C3H7NO2)2]·1.5H2O, comprises a dinuclear complex cation [Re-Re = 2.2494 (3) Å] involving cis-oriented double carboxyl-ate bridges, four equatorial chloride ions and two weakly bonded chloride ligands in the axial positions at the two rhenium(III) atoms. In the crystal, two complex mol-ecules and two water mol-ecules constitute hydrogen-bonded dimers, while an extensive hydrogen-bonding network involving the groups of the zwitterionic ligand is important for generation of the framework. An additional partially occupied water molecule is disordered over two sets of sites about a symmetry centre with a site-occupancy ratio of 0.3:0.2.

Highlights

The structure of the title compound, [Re2Cl6(C3H7NO2)2]1.5H2O, comprises a dinuclear complex cation [Re—Re = 2.2494 (3) Å] involving cis-oriented double carboxylate bridges, four equatorial chloride ions and two weakly bonded chloride ligands in the axial positions at the two rhenium(III) atoms
An additional partially occupied water molecule is disordered over two sets of sites about a symmetry centre with a site-occupancy ratio of 0.3:0.2
We present the synthesis and crystal structure of a new complex compound of dirhenium(III) with -alanine as biologically active substance, which can exhibit antitumor activity (Shtemenko et al, 2009)

Summary

Chemical context

Metal bonds, which exhibit biological activity, generate great interest at the present stage of development of coordination chemistry (Jung & Lippard, 2007; Shtemenko et al, 2013). Labile axial ligands and equatorial chloride groups are the reactive centres for other substances in vitro, and in interactions with biological macromolecules, such as proteins, DNA, and others in vivo (Shtemenko et al, 2013). In this context, we present the synthesis and crystal structure of a new complex compound of dirhenium(III) with -alanine as biologically active substance, which can exhibit antitumor activity (Shtemenko et al, 2009)

Structural commentary

Supramolecular features

Refinement details