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2-[N-(2,4-Difluoro-phen-yl)carbamo-yl]-3,4,5,6-tetra-fluoro-benzoic acid.

ABSTRACT: The title compound, C(14)H(5)F(6)NO(3), was synthesized by condensation of tetra-fluoro-phthalic anhydride and 2,4-difluoro-aniline. It was then recrystallized from hexane to give a nonmerohedral twin with two crystallographically unique mol-ecules in the asymmetric unit. The refined twin fraction is 0.460?(3). Torsional differences between the aryl rings and the central amide group account for the presence of two unique mol-ecules. The compound packs as double tapes formed by O-H?O and N-H?O hydrogen-bonding inter-actions between each unique mol-ecule and its symmetry equivalents.

SUBMITTER: Guo D 

PROVIDER: S-EPMC2971039 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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2-[N-(2,4-Difluoro-phen-yl)carbamo-yl]-3,4,5,6-tetra-fluoro-benzoic acid.

Guo Duoli D   Nichol Gary S GS   Cain James P JP   Yalkowsky Samuel H SH  

Acta crystallographica. Section E, Structure reports online 20091003 Pt 11

The title compound, C(14)H(5)F(6)NO(3), was synthesized by condensation of tetra-fluoro-phthalic anhydride and 2,4-difluoro-aniline. It was then recrystallized from hexane to give a nonmerohedral twin with two crystallographically unique mol-ecules in the asymmetric unit. The refined twin fraction is 0.460 (3). Torsional differences between the aryl rings and the central amide group account for the presence of two unique mol-ecules. The compound packs as double tapes formed by O-H⋯O and N-H⋯O hy  ...[more]

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