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 88.50â (7) (A) and 81.96â (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 8.72â (12) (A) and 27.70â (10)° (B). The conformation about the ethene bond in both mol-ecules is E. The crystal packing features C-Hâ¯O, C-Hâ¯Ï(ar-yl) and Ï-Ï [Cgâ¯Cg = 3.6657â (8) and 3.7778â (8)â à ] stacking inter-actions, which generate a three-dimensional network.
Crystal structure of 7-[(2E)-2-benzyl-idene-3-oxobut-oxy]-4-methyl-2H-chromen-2-one.
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作者:Caracelli Ignez, Zukerman-Schpector Julio, Moran Paulo J S, de Paula Bruno R S, Tiekink Edward R T
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2015 | 起止号: | 2015 Mar 4; 71(Pt 4):o222-3 |
| doi: | 10.1107/S2056989015003084 | ||
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