Crystal structure of pentafluoroacetanilide

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

Research output: Contribution to journal › Article

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 language	English
Pages (from-to)	1201-1204
Number of pages	4
Journal	Journal of Structural Chemistry
Volume	56
Issue number	6
DOIs	https://doi.org/10.1134/S002247661506030X
Publication status	Published - 1 Nov 2015
Externally published	Yes

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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

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title = "Crystal structure of pentafluoroacetanilide",

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) {\AA}, b = 10.5840(4) {\AA}, c = 9.4489(4) {\AA}, β = 116.198(1)°, V = 1637.28(11) {\AA}3, Z = 8. The compound has a molecular structure formed of isolated pentafluoroacetanilide molecules. The average distances in the phenyl ring are 1.39 {\AA} for C-C and 1.34 {\AA} 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).",

keywords = "crystal structure, molecular structure, NMR, pentafluoroacetanilide",

author = "Babailov, {S. P.} and Stabnikov, {P. A.} and Kuratieva, {N. V.} and Nikulshin, {P. A.} and Gromilov, {S. A.}",

year = "2015",

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doi = "10.1134/S002247661506030X",

language = "English",

volume = "56",

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AU - Babailov, S. P.

AU - Stabnikov, P. A.

AU - Kuratieva, N. V.

AU - Nikulshin, P. A.

AU - Gromilov, S. A.

PY - 2015/11/1

Y1 - 2015/11/1

N2 - 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).

AB - 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).

KW - crystal structure

KW - molecular structure

KW - NMR

KW - pentafluoroacetanilide

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10.1134/S002247661506030X