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6-(4-Bromo­phen­yl)-2-eth­oxy-4-(2,4,5-trimethoxy­phen­yl)nicotinonitrile

There are two mol­ecules in the asymmetric unit of the title compound, C(23)H(21)BrN(2)O(4), which differ in the conformation of their ethoxy residues, i.e. almost co-planar with the pyridine ring in one mol­ecule [C—O—C—C = −174.0 (2)°] but almost perpendicular in the other [C—O—C—C = 92.8 (3)°]. T...

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Detalles Bibliográficos
Autores principales: Chantrapromma, Suchada, Fun, Hoong-Kun, Padaki, Mahesh, Suwunwong, Thitipone, Isloor, Arun M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983629/
https://www.ncbi.nlm.nih.gov/pubmed/21580396
http://dx.doi.org/10.1107/S1600536810005210
Descripción
Sumario:There are two mol­ecules in the asymmetric unit of the title compound, C(23)H(21)BrN(2)O(4), which differ in the conformation of their ethoxy residues, i.e. almost co-planar with the pyridine ring in one mol­ecule [C—O—C—C = −174.0 (2)°] but almost perpendicular in the other [C—O—C—C = 92.8 (3)°]. The dihedral angles between the central pyridine ring and the 4-bromo­phenyl and 2,4,5-trimethoxy­phenyl rings are 11.05 (12) and 63.78 (12)°, respectively, in one mol­ecule; the corres­ponding angles in the other mol­ecule are 30.38 (13) and 65.38 (13)°, respectively. In the crystal structure, pairs of mol­ecules are arranged in a face-to-face sandwich structure which further stacks along the b axis. The crystal packing features C—H⋯π inter­actions and Br⋯O [3.5417 (17) Å], Br⋯C [3.748 (3) Å], C⋯N [3.376 (4) Å] and C⋯O [3.351 (3)–3.409 (3) Å] contacts. Finally, π⋯π inter­actions [centroid⋯centroid distances = 3.6346 (19) and 3.6882 (19) Å] are observed.