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Crystal structure of (2-acetyl-ferrocen-1-yl)boronic acid.

ABSTRACT: (2-Acetyl-ferrocen-1-yl)boronic acid, [Fe(C5H5)(C7H8BO3)] or 2-C(O)CH3-1-B(OH)2-Fc [Fc = Fe(η5-C5H3)(η5-C5H5)], crystallizes in the centrosymmetric space group P21/n. The boronic acid functionality inter-acts via intra-molecular hydrogen bonds with the acetyl group and with the -B(OH)2 functionality of an adjacent mol-ecule. The resulting centrosymmetric dimer exhibits an anti-positioning of the ferrocenyl moieties towards the central B2O4 plane. Consequently, an (Rp ,Sp )-, i.e. a meso configuration is present for this dimer. In the crystal, weak C-H⋯O hydrogen bonds consolidate the mol-ecular packing.

SUBMITTER: Preuss A

PROVIDER: S-EPMC6362635 | biostudies-other | 2019 Feb

REPOSITORIES: biostudies-other

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Crystal structure of (2-acetyl-ferrocen-1-yl)boronic acid.

Preuss Andrea A Korb Marcus M Lang Heinrich H

Acta crystallographica. Section E, Crystallographic communications 20190129 Pt 2

(2-Acetyl-ferrocen-1-yl)boronic acid, [Fe(C5H5)(C7H8BO3)] or 2-C(O)CH3-1-B(OH)2-Fc [Fc = Fe(η5-C5H3)(η5-C5H5)], crystallizes in the centrosymmetric space group P21/n. The boronic acid functionality inter-acts via intra-molecular hydrogen bonds with the acetyl group and with the -B(OH)2 functionality of an adjacen ...[more]

PMID: 30800465

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