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- W1567353124 abstract "Full characterization of the heterocyclic system of the title compound (3) was obtained by X-ray diffraction analysis. Crystals are orthorhombic, space group Pbca, with Z = 8 in a unit cell of dimensions a = 9.968(3), b = 23.808(4), c = 11.668(2) Å; the structure was refined by full-matrix least-squares to Rw = 0.036 for 2055 independent reflections. The dioxane ring of the cyclic aspirin moiety exhibits a severely distorted half-boat conformation, with the phenoxy group axially oriented on the ring. With respect to the equatorial Me group the aromatic system of the guaiacol fragment is in a syn-clinal conformation favored by electrostatic interactions; relief from overcrowding is achieved mainly through angular deformations. Differences betwèen the pertinent molecular dimensions of 3 and those of aspirin and salicylic acid are reported." @default.
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- W1567353124 date "1983-01-01" @default.
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- W1567353124 title "A paradigm for the structures of cyclic aspirin derivatives" @default.
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- W1567353124 doi "https://doi.org/10.1016/s0040-4020(01)91558-3" @default.
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