Cargando…
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: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2018
|
| 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 |
| _version_ | 1783322275398811648 |
|---|---|
| author | Cárdenas-Valenzuela, A. Jaquelin González-García, Gerardo Zárraga- Nuñez, Ramón Höpfl, Herbert Campos-Gaxiola, José J. Cruz-Enríquez, Adriana |
| author_facet | Cárdenas-Valenzuela, A. Jaquelin González-García, Gerardo Zárraga- Nuñez, Ramón Höpfl, Herbert Campos-Gaxiola, José J. Cruz-Enríquez, Adriana |
| author_sort | Cárdenas-Valenzuela, A. Jaquelin |
| collection | PubMed |
| description | 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. |
| format | Online Article Text |
| id | pubmed-5946963 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-59469632018-05-15 Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid Cárdenas-Valenzuela, A. Jaquelin González-García, Gerardo Zárraga- Nuñez, Ramón Höpfl, Herbert Campos-Gaxiola, José J. Cruz-Enríquez, Adriana Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2018-03-02 /pmc/articles/PMC5946963/ /pubmed/29765741 http://dx.doi.org/10.1107/S2056989018003146 Text en © Cárdenas-Valenzuela et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
| spellingShingle | Research Communications Cárdenas-Valenzuela, A. Jaquelin González-García, Gerardo Zárraga- Nuñez, Ramón Höpfl, Herbert Campos-Gaxiola, José J. Cruz-Enríquez, Adriana Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid |
| title | Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid |
| title_full | Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid |
| title_short | Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid |
| title_sort | crystal structure and hirshfeld surface analysis of 3-cyanophenylboronic acid |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5946963/ https://www.ncbi.nlm.nih.gov/pubmed/29765741 http://dx.doi.org/10.1107/S2056989018003146 |
| work_keys_str_mv | AT cardenasvalenzuelaajaquelin crystalstructureandhirshfeldsurfaceanalysisof3cyanophenylboronicacid AT gonzalezgarciagerardo crystalstructureandhirshfeldsurfaceanalysisof3cyanophenylboronicacid AT zarraganunezramon crystalstructureandhirshfeldsurfaceanalysisof3cyanophenylboronicacid AT hopflherbert crystalstructureandhirshfeldsurfaceanalysisof3cyanophenylboronicacid AT camposgaxiolajosej crystalstructureandhirshfeldsurfaceanalysisof3cyanophenylboronicacid AT cruzenriquezadriana crystalstructureandhirshfeldsurfaceanalysisof3cyanophenylboronicacid |