Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid
| Autor: | A. Jaquelin Cárdenas-Valenzuela, Gerardo González-García, Ramón Zárraga- Nuñez, Herbert Höpfl, José J. Campos-Gaxiola, Adriana Cruz-Enríquez |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 4, Pp 441-444 (2018) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989018003146 |
| Popis: | 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. |
| Databáze: | Directory of Open Access Journals |
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