Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/352813
Type: Artigo
Title: Crystal structure of 7-[(2E)-2-benzyl-idene-3-oxobutoxy]-4-methyl-2H-chromen-2-one
Author: Caracelli, I.
Zukerman-Schpector, J.
Moran, P. J. S.
De Paula, B. R. S.
Tiekink, E. R. T.
Harrison, W. T. A.
Abstract: Two independent molecules (A and B) comprise the asymmetric unit of the title compound, C21H18O4. 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 super-imposable 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 7Z-7Z [Cg⋯Cg = 3.6657 (8) and 3.7778 (8) Å] stacking interactions, which generate a three-dimensional network
Subject: Estrutura de cristal
Country: Estados Unidos
Editor: International Union of Crystallography
Rights: Fechado
Identifier DOI: 10.1107/S2056989015003084
Address: https://journals.iucr.org/e/issues/2015/04/00/hb7368/index.html
Date Issue: 2015
Appears in Collections:IQ - Artigos e Outros Documentos

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