Cargando…

Crystal structure of (2-acetyl­ferrocen-1-yl)boronic acid

(2-Acetyl­ferrocen-1-yl)boronic acid, [Fe(C(5)H(5))(C(7)H(8)BO(3))] or 2-C(O)CH(3)-1-B(OH)(2)–Fc [Fc = Fe(η(5)-C(5)H(3))(η(5)-C(5)H(5))], crystallizes in the centrosymmetric space group P2(1)/n. The boronic acid functionality inter­acts via intra­molecular hydrogen bonds with the acetyl group and wi...

Descripción completa

Detalles Bibliográficos
Autores principales: Preuss, Andrea, Korb, Marcus, Lang, Heinrich
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362635/
https://www.ncbi.nlm.nih.gov/pubmed/30800465
http://dx.doi.org/10.1107/S2056989019001178
Descripción
Sumario:(2-Acetyl­ferrocen-1-yl)boronic acid, [Fe(C(5)H(5))(C(7)H(8)BO(3))] or 2-C(O)CH(3)-1-B(OH)(2)–Fc [Fc = Fe(η(5)-C(5)H(3))(η(5)-C(5)H(5))], crystallizes in the centrosymmetric space group P2(1)/n. The boronic acid functionality inter­acts via intra­molecular hydrogen bonds with the acetyl group and with the –B(OH)(2) functionality of an adjacent mol­ecule. The resulting centrosymmetric dimer exhibits an anti-positioning of the ferrocenyl moieties towards the central B(2)O(4) plane. Consequently, an (R(p),S(p))-, i.e. a meso configuration is present for this dimer. In the crystal, weak C—H⋯O hydrogen bonds consolidate the mol­ecular packing.