Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 6 (June 2008)

metal-organic compounds

av3139 scheme

Acta Cryst. (2008). C64, m228-m232 [ doi:10.1107/S0108270108012481 ]

Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate-magnesium(I) compounds obtained by disproportionation of the Grignard reagent

D. J. Loroño-Gonzalez

Abstract: Reaction of the Grignard reagent with polydentate nitrogen-donor ligands yields new species with rare magnesium coordination and possible catalytic activity. In the first of the title compounds, poly[[ [mu] ₄-dihydrobis(pyrazol-1-yl)borato- [kappa] ²N,N']potassium(I)], [K(C₆H₈BN₄)]_n, (I), polymeric chains form a two-dimensional network in the [100] plane. Each potassium ion is coordinated by four N atoms of pyrazolyl ligands, while weak ( [mu] -BH)K⁺ interactions additionally stabilize the structure. The K and B atoms both lie on a mirror plane. In three new structures obtained by disproportionation of the Grignard reagent, each Mg atom is bound to a [kappa] ²N,N'-type ligand, forming the basal plane, and tetrahydrofuran molecules occupy the axial positions. Di- [mu] -chlorido-bis[dihydridobis(pyrazol-1-yl)borato]tris(tetrahydrofuran)dimagnesium(II), [Mg₂(C₆H₈BN₄)₂Cl₂(C₄H₈O)₃], (II), adopts a dimeric structure with [mu] -Cl-Mg interactions. One of the Mg atoms has an octahedral coordination, while the other has a distorted square-pyramidal environment. However, in the bis-chelate compounds bis[dihydridobis(pyrazol-1-yl)borato- [kappa] ²N,N'](tetrahydrofuran- [kappa] O)magnesium(II), [Mg(C₆H₈BN₄)₂(C₄H₈O)], (III), and bis[dihydridobis(pyrazol-1-yl)borato- [kappa] ²N,N']bis(tetrahydrofuran- [kappa] O)magnesium(II), [Mg(C₆H₈BN₄)₂(C₄H₈O)₂], (IV), the Mg atoms have square-pyramidal and octahedral environments, respectively. The Mg atom in (IV) lies on an inversion centre.

Formula: [K(C₆H₈BN₄)], [Mg₂(C₆H₈BN₄)₂Cl₂(C₄H₈O)₃], [Mg(C₆H₈BN₄)₂(C₄H₈O)] and [Mg(C₆H₈BN₄)₂(C₄H₈O)₂]


	Structure factor file (CIF format) (46.1 kbytes) [ doi:10.1107/S0108270108012481/av3139Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (384.9 kbytes) [ doi:10.1107/S0108270108012481/av3139IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (410.2 kbytes) [ doi:10.1107/S0108270108012481/av3139IIIsup4.hkl ] Contains datablock III

	Structure factor file (CIF format) (276.1 kbytes) [ doi:10.1107/S0108270108012481/av3139IVsup5.hkl ] Contains datablock IV

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