N-(4-Bromo­phen­yl)pyrazine-2-carbox­amide

The mol­ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intra­molecular N—H⋯N hydrogen bond, which generates an S(5) ring. In the crystal structure, supra­molecular chains mediated by C—H⋯O contacts...

Descripción completa

Detalles Bibliográficos
Autores principales: de Lima Ferreira, Marcelle, de Souza, Marcus V. N., Wardell, Solange M. S. V., Wardell, James L., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009118/
https://www.ncbi.nlm.nih.gov/pubmed/21588934
http://dx.doi.org/10.1107/S1600536810039036
Descripción
Sumario:The mol­ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intra­molecular N—H⋯N hydrogen bond, which generates an S(5) ring. In the crystal structure, supra­molecular chains mediated by C—H⋯O contacts (along a) are linked into a double layer via N⋯Br halogen bonds [3.207 (5) Å] and C—Br⋯π inter­actions [Br⋯ring centroid(pyrazine) = 3.446 (3) Å]. The layers stack along the b axis via weak π–π inter­actions [ring centroid(pyrazine)⋯ring centroid(benzene) distance = 3.803 (4) Å].

Ejemplares similares