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Crystal structure of 7-[(2E)-2-benzyl­idene-3-oxobut­oxy]-4-methyl-2H-chromen-2-one

Two independent mol­ecules (A and B) comprise the asymmetric unit of the title compound, C(21)H(18)O(4). There are significant conformational differences between the mol­ecules relating in particular to the relative orientation of the 3-oxo-2-(phenyl­methyl­idene)but­oxy substituent with respect to...

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Detalles Bibliográficos
Autores principales: Caracelli, Ignez, Zukerman-Schpector, Julio, Moran, Paulo J. S., de Paula, Bruno R. S., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438806/
https://www.ncbi.nlm.nih.gov/pubmed/26029424
http://dx.doi.org/10.1107/S2056989015003084
Descripción
Sumario:Two independent mol­ecules (A and B) comprise the asymmetric unit of the title compound, C(21)H(18)O(4). There are significant conformational differences between the mol­ecules relating in particular to the relative orientation of the 3-oxo-2-(phenyl­methyl­idene)but­oxy substituent with respect to the superimposable chromen-2-one residues. To a first approximation, the substituents are mirror images; both are approximately perpendicular to the chromen-2-one fused ring system with dihedral angles of 88.50 (7) (A) and 81.96 (7)° (B). Another difference between the independent mol­ecules is noted in the dihedral angles between the adjacent phenyl and but-3-en-2-one groups of 8.72 (12) (A) and 27.70 (10)° (B). The conformation about the ethene bond in both mol­ecules is E. The crystal packing features C—H⋯O, C—H⋯π(ar­yl) and π–π [Cg⋯Cg = 3.6657 (8) and 3.7778 (8) Å] stacking inter­actions, which generate a three-dimensional network.