Crystal structure and Hirshfeld surface analysis of 3-cyano-phenyl-boronic acid.
Acta Crystallogr E Crystallogr Commun
; 74(Pt 4): 441-444, 2018 Apr 01.
Article
en En
| MEDLINE
| ID: mdl-29765741
ABSTRACT
In the title compound, C7H6BNO2, the mean plane of the -B(OH)2 group is twisted by 21.28â
(6)° relative to the cyano-phenyl ring mean plane. In the crystal, mol-ecules are linked by O-Hâ¯O and O-Hâ¯N hydrogen bonds, forming chains propagating along the [101] direction. Offset π-π and Bâ¯π stacking inter-actions link the chains, forming a three-dimensional network. Hirshfeld surface analysis shows that van der Waals inter-actions constitute a further major contribution to the inter-molecular inter-actions, with Hâ¯H contacts accounting for 25.8% of the surface.
Texto completo:
1
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Año:
2018
Tipo del documento:
Article