Crystal structure of 5-benzoylamino-5-isopropyl-4-oxo-1,3-dioxane |
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Authors: | Marek L. Główka Zbigniew J. Kamiński Gastone Gilli Valerio Bertolasi |
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Affiliation: | (1) Institute of General Chemistry and Institute of Organic Chemistry, Technical University of ód , 90-924 Lód , Poland;(2) Centra di Strutturistica Diffrattometrica e Dipartimento di Chimica, Università di Ferrara, I-44100 Ferrara, Italy |
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Abstract: | C14H17NO4 crystallizes in the monoclinic space groupP21/n (Z=4) witha=10.208(2),b=10.888(2),c=11.909(2) Å, and =90.89(2)°. The structure was solved by direct methods and refined by full-matrix LSQ to anR factor of 0.036. The 4-oxo-1,3-dioxane ring is in a slightly distorted O(1)-sofa conformation flattened at the C(4) end with the 5-isopropyl substituent in a pseudoaxial position and planar lactone group. The molecules form dimers by means of intermolecular N-H O(4) hydrogen bonds of 3.091(2) Å. The1H NMR spectrum of the title compound shows unusual features. |
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