Novel three-dimensional coordination polymer of 2-(1,3,5-tri-aza-7-phospho-niatri-cyclo-[3.3.1.13,7]decan-7-yl)ethanoic acid with silver(I) tetra-fluoro-borate.

Antal Udvardy,Gábor Papp,Ferenc Joó,Ágnes Kathó,Gyula Tamás Gál

doi:10.1107/s2056989022000767

Antal Udvardy, Gábor Papp + Show 3 more

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https://doi.org/10.1107/s2056989022000767

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Abstract

An AgI-based coordination polymer (CP), namely, poly[[[μ3-2-(1,3,5-tri-aza-7-phospho-niatri-cyclo-[3.3.1.13,7]decan-7-yl)ethano-ate-κ4 N:N':O,O']silver(I)] tetra-fluoro-borate], {[Ag(C9H16N3O2P)]BF4} n , was synthesized in an aqueous solution of zwitterionic 2-(1,3,5-tri-aza-7-phospho-niatri-cyclo-[3.3.1.13,7]decan-7-yl)ethan-o-ate (L) and AgBF4 with exclusion of light at room temperature. The colourless and light-insensitive CP crystallized in the monoclinic space group Cc. The asymmetric unit consists of an AgI cation, the zwitterionic L ligand and a BF4 - counter-ion. Each AgI ion is coordinated by two carboxyl-ate oxygen atoms in a chelating coordination mode, as well as one of the nitro-gen atoms of two neighbouring L ligands. The crystal structure of the CP was classified as a unique three-dimensional arrangement. The CP was also characterized in aqueous solutions by multinuclear NMR and HRMS spectroscopies and elemental analysis.

Highlights

An AgI-based coordination polymer (CP), namely, poly[[[3-2-(1,3,5-triaza-7phosphoniatricyclo[3.3.1.13,7]decan-7-yl)ethanoate-4N:N0:O,O0]silver(I)] tetrafluoroborate], {[Ag(C9H16N3O2P)]BF4}n, was synthesized in an aqueous solution of zwitterionic 2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)ethanoate (L) and AgBF4 with exclusion of light at room temperature
The colourless and light-insensitive CP crystallized in the monoclinic space group Cc
The crystal structure of the CP was classified as a unique three-dimensional arrangement

Summary

Chemical context

The architectures and antimicrobial properties of self-assembled silver-based coordination polymers (CPs) or MOFs (metal–organic frameworks), bridged by phosphaurotropines, have been widely studied (Guerriero et al, 2018). According to our previous studies, the aqueous reaction of zwitterionic 2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decan-7-yl)ethanoate (L) with AgX (X = PF6, SO3C6H4CH3, SO3CF3) yielded various 1D Ag-based coordination polymers (Udvardy et al, 2021). The architectures of these AgI complexes depend on their counter-ions and the position of the ligand, which contains both rigid and flexible molecular moieties. Tosylate (tos) and triflate (OTf) derivatives (Udvardy et al, 2021), the 1H-NMR spectrum showed differences between the P+–CH2–N and N–CH2–N signals, which clearly indicated the coordination of the silver ions to the nitrogen donor atoms of the L ligand.

Structural commentary

Supramolecular features

Database survey

Synthesis and crystallization