Abstract
The title compound, C12H11BrN2O2, was prepared by an intra-cyclization reaction of (S)-1-(5-bromo-2-nitrobenzyl)-5-oxopyrrolidine-2-carboxylic acid methyl ester in the presence of EtOH/Fe. The five-membered pyrrolidinone ring adopts an approximate envelope conformation, while the seven-membered diazepanone ring displays a twisted boat conformation. Intermolecular classical N—H⋯O hydrogen bonds and weak C—H⋯O interactions help to stabilize the crystal structure.
Highlights
The work was supported by grants from the National
Supplementary data and figures for this paper are available from the IUCr electronic archives
its shape approximates to a twist boat
Summary
R factor = 0.022; wR factor = 0.057; data-to-parameter ratio = 14.6. The title compound, C12H11BrN2O2, was prepared by an intracyclization reaction of (S)-1-(5-bromo-2-nitrobenzyl)-5oxopyrrolidine-2-carboxylic acid methyl ester in the presence of EtOH/Fe. The five-membered pyrrolidinone ring adopts an approximate envelope conformation, while the sevenmembered diazepanone ring displays a twisted boat conformation. Intermolecular classical N—H O hydrogen bonds and weak C—H O interactions help to stabilize the crystal structure
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