Crystal structure and Hirshfeld surface analysis of 3-cyano-phenyl-boronic acid.

Acta Crystallogr E Crystallogr Commun

Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa, Fuente de Poseidón y Prol. A. Flores S/N, CP 81223, C.U. Los Mochis, Sinaloa, México.

Published: April 2018

In the title compound, CHBNO, the mean plane of the -B(OH) group is twisted by 21.28 (6)° relative to the cyano-phenyl ring mean plane. In the crystal, mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds, forming chains propagating along the [101] direction. Offset π-π and B⋯π stacking inter-actions link the chains, forming a three-dimensional network. Hirshfeld surface analysis shows that van der Waals inter-actions constitute a further major contribution to the inter-molecular inter-actions, with H⋯H contacts accounting for 25.8% of the surface.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5946963PMC
http://dx.doi.org/10.1107/S2056989018003146DOI Listing

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