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Acta Cryst. (2001). E57, o404-o405  [ doi:10.1107/S1600536801005645 ]

Methyl (4-formyl-2-methoxycarbonylpyrrol-1-yl)acetate

J. Lokaj, V. Kettmann, V. Milata, J. Stetinová and O. Petrov

Abstract: The title compound, C10H11NO5, belongs to a broad class of nitrogen heterocycles widely used in medicinal chemistry as well as the pharmaceutical and chemical industries and was selected for crystal structure determination in order to elucidate the conformation of the substituents bonded to the pyrrole ring and the extent of [pi]-electron delocalization. There is structural evidence that both the 2-methoxycarbonyl and 4-formyl groups interact with the [pi]-cloud of the pyrrole ring. The second methoxycarbonyl group at N1 is twisted out of the pyrrole plane due to rotations around the methylene bonds.


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