Affiliations 

  • 1 Departmento de Física, Universidade Federal de São Carlos, 13565-905 São Carlos, SP , Brazil
  • 2 Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil
  • 3 Instituto de Química, Universidade Estadual de Campinas, C.P. 6154, 13083-970 Campinas, SP, Brazil
  • 4 Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Acta Crystallogr E Crystallogr Commun, 2015 Apr 1;71(Pt 4):o222-3.
PMID: 26029424 DOI: 10.1107/S2056989015003084

Abstract

Two independent mol-ecules (A and B) comprise the asymmetric unit of the title compound, C21H18O4. There are significant conformational differences between the mol-ecules relating in particular to the relative orientation of the 3-oxo-2-(phenyl-methyl-idene)but-oxy 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 mol-ecules 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 mol-ecules is E. The crystal packing features C-H⋯O, C-H⋯π(ar-yl) and π-π [Cg⋯Cg = 3.6657 (8) and 3.7778 (8) Å] stacking inter-actions, which generate a three-dimensional network.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.