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) 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

Keywords

crystal structure
molecular structure
NMR
pentafluoroacetanilide

ASJC Scopus subject areas

Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Chemistry

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@article{f86c5092560e4bd2ade04e7924b79e1d,

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",

month = nov,

day = "1",

doi = "10.1134/S002247661506030X",

language = "English",

volume = "56",

pages = "1201--1204",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",

number = "6",

}

TY - JOUR

T1 - Crystal structure of pentafluoroacetanilide

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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