2,5-Di­meth­oxy­benzo­nitrile

In the title mol­ecule, C(9)H(9)NO(2), the non-H atoms are essentially coplanar with a maximum deviation of 0.027 (2) Å for the C atom of one of the methyl groups. In the crystal, the mol­ecules are arranged into centrosymmetric pairs via pairs of C—H⋯O and C—H⋯N inter­actions whereas π–π stacking i...

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Detalles Bibliográficos
Autores principales: Bugenhagen, Bernhard, Al Jasem, Yosef, Thiemann, Thies
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885063/
https://www.ncbi.nlm.nih.gov/pubmed/24454239
http://dx.doi.org/10.1107/S1600536813031309
Descripción
Sumario:In the title mol­ecule, C(9)H(9)NO(2), the non-H atoms are essentially coplanar with a maximum deviation of 0.027 (2) Å for the C atom of one of the methyl groups. In the crystal, the mol­ecules are arranged into centrosymmetric pairs via pairs of C—H⋯O and C—H⋯N inter­actions whereas π–π stacking inter­actions between the benzene rings [centroid–centroid distance 3.91001 (15) Å] organize them into polymeric strands propagating along the a-axis direction. There is a step of 0.644 (2) Å between the two planar parts of the centrosymmetric pair. In neighboring strands related by the n-glide operation, the aromatic rings are tilted by 29.08 (2)°.

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