Back to Search Start Over

Crystal structure of (2′,3,6′-trichlorobiphenyl-2-yl)boronic acid tetrahydrofuran monosolvate

Authors :
Krzysztof Durka
Janusz Serwatowski
Tomasz Kliś
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 12, Pp 1471-1474 (2015), Acta Crystallographica Section E: Crystallographic Communications
Publication Year :
2015
Publisher :
International Union of Crystallography, 2015.

Abstract

In this manuscript the mol­ecular and supra­molecular structure of 2′,3,6′-tri­chloro­biphenyl-2-ylboronic acid tetra­hydro­furan monosolvate is presented<br />The title compound, C12H8BCl3O2·C4H8O, crystallizes as a tetra­hydro­furan monosolvate. The boronic acid group adopts a syn–anti conformation and is significantly twisted along the carbon–boron bond by 69.2 (1)°, due to considerable steric hindrance from the 2′,6′-di­chloro­phenyl group that is located ortho to the boronic acid substituent. The phenyl rings of the biphenyl are almost perpendicular to one another, with a dihedral angle of 87.9 (1)° between them. In the crystal, adjacent mol­ecules are linked via O—H⋯O inter­actions to form centrosymmetric dimers with R 2 2(8) motifs, which have recently been shown to be energetically very favourable. The hy­droxy groups are in an anti conformation and are also engaged in hydrogen-bonding inter­actions with the O atom of the tetra­hydro­furan solvent mol­ecule. Cl⋯Cl halogen-bonding inter­actions [Cl⋯Cl = 3.464 (1) Å] link neigbouring dimers into chains running along [010]. Further aggregation occurs due to an additional Cl⋯Cl halogen bond [Cl⋯Cl = 3.387 (1) Å].

Details

Language :
English
ISSN :
20569890
Volume :
71
Issue :
12
Database :
OpenAIRE
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Accession number :
edsair.doi.dedup.....0813662ee725d2acee6ca6019431472d