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

Duoli Guo; Gary S. Nichol; James P. Cain; Samuel H. Yalkowsky

doi:10.1107/S1600536809038306

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

Duoli Guo, Gary S. Nichol, James P. Cain, Samuel H. Yalkowsky

Pharmacology and Toxicology

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

The title compound, C₁₄H₅F₆NO₃, 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.

Original language	English (US)
Pages (from-to)	o2644
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	65
Issue number	11
DOIs	https://doi.org/10.1107/S1600536809038306
State	Published - 2009

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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10.1107/S1600536809038306

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

abstract = "The title compound, C14H5F6NO3, 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.",

author = "Duoli Guo and Nichol, {Gary S.} and Cain, {James P.} and Yalkowsky, {Samuel H.}",

year = "2009",

doi = "10.1107/S1600536809038306",

language = "English (US)",

volume = "65",

pages = "o2644",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "11",

}

TY - JOUR

T1 - 2-[N-(2,4-Difluoro-phen-yl)carbamo-yl]-3,4,5,6-tetra-fluoro-benzoic acid

AU - Guo, Duoli

AU - Nichol, Gary S.

AU - Cain, James P.

AU - Yalkowsky, Samuel H.

PY - 2009

Y1 - 2009

N2 - The title compound, C14H5F6NO3, 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.

AB - The title compound, C14H5F6NO3, 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.

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U2 - 10.1107/S1600536809038306

DO - 10.1107/S1600536809038306

M3 - Article

C2 - 21578258

AN - SCOPUS:70449434350

VL - 65

SP - o2644

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 11

ER -

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

Abstract

ASJC Scopus subject areas

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CCDC 754245: Experimental Crystal Structure Determination

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

Abstract

ASJC Scopus subject areas

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Datasets

CCDC 754245: Experimental Crystal Structure Determination

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