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Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid
In the title compound, C(7)H(6)BNO(2), 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 stacki...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5946963/ https://www.ncbi.nlm.nih.gov/pubmed/29765741 http://dx.doi.org/10.1107/S2056989018003146 |
Sumario: | In the title compound, C(7)H(6)BNO(2), 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. |
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