Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid
Copyright policy )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.
- Universidad Da Vinci Mexico
- Universidad de Guanajuato Mexico
- Universidad Del Valle De Cuernavaca Mexico
- Autonomous University of Coahuila Mexico
- University of Neuchâtel Switzerland
crystal structure, Crystallography, QD901-999, boronic acid, Hirshfeld surface analysis, hydrogen bonding, offset π–π interactions, Research Communications
crystal structure, Crystallography, QD901-999, boronic acid, Hirshfeld surface analysis, hydrogen bonding, offset π–π interactions, Research Communications
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