C. Yanes, M. Torres, M. López-Rodríguez
Apr 15, 1997
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Influential Citations
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Journal
Acta Crystallographica Section C-crystal Structure Communications
Abstract
The reaction of 2-fluoro-5-nitroaniline with pyrrolidine and triethylamine in DMF gives 2-pyrrolidinyl-5-nitroaniline, and subsequent treatment with trifluoroacetic acid and thionyl chloride in DMF results in the title compound, C 12 H 12 F 3 N 3 o 3 , the molecular structure of which, determined by X-ray crystallography, is described. In recent years, the interest in using organic crystals with a charge-transfer interaction via highly delocalized π-electron states (e.g. nitroanilines with donor and acceptor substituents in para positions) has increased considerably, since many of them have shown non-linear optical properties [Chemla & Zyss (1986). In Nonlinear Optical Properties of Organic Molecules and Crystals, Vols. 1 and 2. Orlando: Academic Press]. N-(5-Nitro-2-pyrrolidinylphenyl)trifluoro-acetamide (TPNB) is a donor-acceptor substituted benzene derivative and belongs to a family of compounds which produce high molecular non-linearity. TPNB shows a charge transfer (CT) between the paradisposed pyrrolidino donor and nitro acceptor groups.