Crystal structure of pentafluoroacetanilide

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

Research output: Contribution to journalArticle

Abstract

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
Volume56
Issue number6
DOIs
Publication statusPublished - 1 Nov 2015
Externally publishedYes

Fingerprint

Molecular structure
molecular structure
Crystal structure
crystal structure
Monochromators
Graphite
Diffractometers
monochromators
diffractometers
Cations
graphite
Positive ions
Metals
Nuclear magnetic resonance
cations
nuclear magnetic resonance
Molecules
rings
metals
molecules

Keywords

  • crystal structure
  • molecular structure
  • NMR
  • pentafluoroacetanilide

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Babailov, S. P., Stabnikov, P. A., Kuratieva, N. V., Nikulshin, P. A., & Gromilov, S. A. (2015). Crystal structure of pentafluoroacetanilide. Journal of Structural Chemistry, 56(6), 1201-1204. https://doi.org/10.1134/S002247661506030X

Crystal structure of pentafluoroacetanilide. / Babailov, S. P.; Stabnikov, P. A.; Kuratieva, N. V.; Nikulshin, P. A.; Gromilov, S. A.

In: Journal of Structural Chemistry, Vol. 56, No. 6, 01.11.2015, p. 1201-1204.

Research output: Contribution to journalArticle

Babailov, SP, Stabnikov, PA, Kuratieva, NV, Nikulshin, PA & Gromilov, SA 2015, 'Crystal structure of pentafluoroacetanilide', Journal of Structural Chemistry, vol. 56, no. 6, pp. 1201-1204. https://doi.org/10.1134/S002247661506030X
Babailov SP, Stabnikov PA, Kuratieva NV, Nikulshin PA, Gromilov SA. Crystal structure of pentafluoroacetanilide. Journal of Structural Chemistry. 2015 Nov 1;56(6):1201-1204. https://doi.org/10.1134/S002247661506030X
Babailov, S. P. ; Stabnikov, P. A. ; Kuratieva, N. V. ; Nikulshin, P. A. ; Gromilov, S. A. / Crystal structure of pentafluoroacetanilide. In: Journal of Structural Chemistry. 2015 ; Vol. 56, No. 6. pp. 1201-1204.
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