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Crystal structure of bis-{(3,5-di-methyl-pyrazol-1-yl)di-hydro-[3-(pyridin-2-yl)pyrazol-1-yl]-borato}iron(II).

ABSTRACT: The structure determination of [Fe(C13H15BN5)2] was undertaken as part of a project on the modification of the recently published spin-crossover (SCO) complex [Fe{H2B(pz)(pypz)}2] (pz = pyrazole, pypz = pyridyl-pyrazole). To this end, a new ligand was synthesized in which two additional methyl groups are present. Its reaction with iron tri-fluoro-methane-sulfonate led to a pure sample of the title compound, as proven by X-ray powder diffraction. The asymmetric unit consists of one complex mol-ecule in a general position. The FeII atom is coordinated by two tridentate N-binding {H2B(3,5-(CH3)2-pz)(pypz)}- ligands. The Fe-N bond lengths range between 2.1222?(13) and 2.3255?(15)?Å, compatible with FeII in the high-spin state, which was also confirmed by magnetic measurements. Other than a very weak C-H?N non-classical hydrogen bond linking individual mol-ecules into rows extending parallel to [010], there are no remarkable inter-molecular inter-actions.

SUBMITTER: Ossinger S 

PROVIDER: S-EPMC7405558 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of bis-{(3,5-di-methyl-pyrazol-1-yl)di-hydro-[3-(pyridin-2-yl)pyrazol-1-yl]-borato}iron(II).

Ossinger Sascha S   Näther Christian C   Tuczek Felix F  

Acta crystallographica. Section E, Crystallographic communications 20200710 Pt 8

The structure determination of [Fe(C<sub>13</sub>H<sub>15</sub>BN<sub>5</sub>)<sub>2</sub>] was undertaken as part of a project on the modification of the recently published spin-crossover (SCO) complex [Fe{H<sub>2</sub>B(pz)(pypz)}<sub>2</sub>] (pz = pyrazole, pypz = pyridyl-pyrazole). To this end, a new ligand was synthesized in which two additional methyl groups are present. Its reaction with iron tri-fluoro-methane-sulfonate led to a pure sample of the title compound, as proven by X-ray powd  ...[more]

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