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- W2079428779 abstract "The title compound was prepared by the lithiation of N-methyl-ortho-toluamide and the alkylation of the resultant lithio derivative with desoxy benzoin, followed by alkaline hydrolysis. The compound crystallizes into monoclinic space group P21/a with unit-cell parameters a = 12.689(8), b = 14.681(13), c = 18.114(4)A, β = 91.37(3)°, Z = 8. The crystal structure was solved by direct methods and refined to R = 0.0455 for 3566 observed reflections. There are two crystallographically independent molecules in the asymmetric unit having different conformations of the attached phenyl and benzyl substituent to the iso-coumarin nucleus. In both molecules, the heterocyclic ring adopts a half-chair conformation. The C-H…O type of intermolecular hydrogen bonds and C-H…π weak interactions stabilize the molecules in the unit cell in addition to the π-π interactions." @default.
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- W2079428779 date "2005-01-01" @default.
- W2079428779 modified "2023-09-24" @default.
- W2079428779 title "Crystal Structure and Synthesis of 3-Benzyl-3-phenyl-3,4-dihydroisocoumarin" @default.
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- W2079428779 doi "https://doi.org/10.2116/analscix.21.x213" @default.
- W2079428779 hasPublicationYear "2005" @default.
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