Crystal structure of pentafluoroacetanilide

S. P. Babailov, P. A. Stabnikov, N. V. Kuratieva, P. A. Nikulshin, S. A. Gromilov

Research output: Contribution to journalArticlepeer-review


A new compound C6F5N(H)C(O)CH3 pentafluoroacetanilide, which is promising for the formation of coordination compounds with metal cations, is synthesized. Its crystal structure is determined (APEX DUO diffractometer, λMoK α, graphite monochromator, T = 150 K). Crystallographic data for C8H4F5NO are as follows: space group C2/c, a = 18.2460(7) Å, b = 10.5840(4) Å, c = 9.4489(4) Å, β = 116.198(1)°, V = 1637.28(11) Å3, Z = 8. The compound has a molecular structure formed of isolated pentafluoroacetanilide molecules. The average distances in the phenyl ring are 1.39 Å for C-C and 1.34 Å for C-F. The molecular structure of the studied compound is confirmed by 19F and 1H NMR in the solution CCl4/CDCl3 = 1:1 (v:v).

Original languageEnglish
Pages (from-to)1201-1204
Number of pages4
JournalJournal of Structural Chemistry
Issue number6
Publication statusPublished - 1 Nov 2015
Externally publishedYes


  • crystal structure
  • molecular structure
  • NMR
  • pentafluoroacetanilide

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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