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

Acta Crystallographica Section E: Crystallographic Communications

Durka, K.¹  , T.¹  Kliś¹ 

[1] Physical Chemistry Department, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland

关键词: ARYLBORONIC ACID;    HYDROGEN-BONDING INTERACTIONS;    HALOGEN-BONDING INTERACTIONS;    BIPHENYL;    THF SOLVATE;    CRYSTAL STRUCTURE;   

DOI  :  10.1107/S205698901502054X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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 R22(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].

【 授权许可】

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