Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile

The asymmetric unit of the title compound, C(15)H(12)N(2)O(2), contains two crystallographically independent mol­ecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°. An intra­molecular O—H⋯N hydrogen bonds results in the formation of an S(6) ring motif....

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Detalles Bibliográficos
Autores principales: Faizi, Md. Serajul Haque, Dege, Necmi, Çiçek, Ceren, Agar, Erbil, Fritsky, Igor O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659330/
https://www.ncbi.nlm.nih.gov/pubmed/31392010
http://dx.doi.org/10.1107/S2056989019008077
Descripción
Sumario:The asymmetric unit of the title compound, C(15)H(12)N(2)O(2), contains two crystallographically independent mol­ecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°. An intra­molecular O—H⋯N hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to (011). In addition, π–π stacking inter­actions with centroid–centroid distances in the range 3.693 (2)–3.931 (2) Å complete the three-dimensional network.

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