4-Chloro-3-fluoro-2-methylaniline–pyrrolidine-2,5-dione (1/1)

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4-Chloro-3-fluoro-2-methyl­aniline–pyrrolidine-2,5-dione (1/1)

Chlorination of 3-fluoro-2-methyl-aniline with N-chloro-succinimide gave one major regioisomer whose structure was determined by X-ray crystallography. The product was found to have cocrystallized with succinimide, giving the title compound, C(7)H(7)ClFN·C(4)H(5)NO(2). The crystal structure is stabilized by N-H⋯O hydrogen-bonding and π-π stacking inter-actions with a centroid-centroid distance ...

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Theoretical structural analysis of 3-CHLORO-4-FLUORO-ANILINE.

This study was designed to compute the spectroscopic properties of aniline family, and educates the 3chloro-4-fluoro-aniline, which have unique pharmaceutical important. The structural and spectroscopic properties were investigated using a quantum calculation. The density functional theory approach at B3LYP/6–31G(d) data set is apply. IR and UV-Visible spectrophotometric estimated through GAMES...

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In the title compound, C13H8ClF4N, the dihedral angle between the benzene and pyridine rings is 59.8 (3)°. In the crystal, mol-ecules are stacked in columns along the b axis through weak C-H⋯π inter-actions.

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2008

ISSN: 1600-5368

DOI: 10.1107/s1600536808018795