Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid
In the title compound, C7H6BNO2, the mean plane of the –B(OH)2 group is twisted by 21.28 (6)° relative to the cyanophenyl ring mean plane. In the crystal, molecules 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 interactions link the chains, forming a three-dimensional network. Hirshfeld surface analysis shows that van der Waals interactions constitute a further major contribution to the intermolecular interactions, with H...H contacts accounting for 25.8% of the surface.
Document Type: Research Article
Affiliations: 1: 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 2: Departamento de Química, División de Ciencias Naturales y Exactas, Campus Guanajuato, Universidad de Guanajuato, Sede Noria Alta, Noria Alta S/N, Col. Noria Alta, CP 36050, Guanajuato, Gto., México 3:
Publication date: 01 January 2018
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