Open Access
,
volume 78
,
issue 1
,
pages 80-83
Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds
Publication type: Journal Article
Publication date: 2022-01-01
scimago Q4
wos Q4
SJR: 0.197
CiteScore: 1.2
Impact factor: 0.6
ISSN: 20569890
PubMed ID:
35079430
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
The molecular and crystal structures of the title compound, C8H4F5NO, were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis. The title compound was synthesized by a new method at the interface of aqueous solutions of LiOH and pentafluorophenylacetonitrile. In the crystal, hydrogen bonds and π–halogen interactions connect the molecules into double layers. Analysis of the Hirshfeld surface showed that the most important contributions to the crystal packing are made by F...F (30.4%), C...F/F...C (22.9%), O...H/H...O (14.9%), H...F/F...H (14.0%) and H...H (10.2%) contacts. The Hirshfeld surfaces of analogues of the title compound were compared and the effect of perfluorination on the crystal packing was shown.
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Total citations:
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Citations from 2024:
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Novikov A. P. et al. Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds // Acta Crystallographica Section E: Crystallographic Communications. 2022. Vol. 78. No. 1. pp. 80-83.
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Novikov A. P., Bezdomnikov A. A., Grigoriev M. S., German K. E. Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds // Acta Crystallographica Section E: Crystallographic Communications. 2022. Vol. 78. No. 1. pp. 80-83.
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TY - JOUR
DO - 10.1107/S2056989021013359
UR - https://doi.org/10.1107/S2056989021013359
TI - Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds
T2 - Acta Crystallographica Section E: Crystallographic Communications
AU - Novikov, Anton P.
AU - Bezdomnikov, Alexey A.
AU - Grigoriev, Mikhail S.
AU - German, Konstantin E.
PY - 2022
DA - 2022/01/01
PB - International Union of Crystallography (IUCr)
SP - 80-83
IS - 1
VL - 78
PMID - 35079430
SN - 2056-9890
ER -
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BibTex (up to 50 authors)
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@article{2022_Novikov,
author = {Anton P. Novikov and Alexey A. Bezdomnikov and Mikhail S. Grigoriev and Konstantin E. German},
title = {Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds},
journal = {Acta Crystallographica Section E: Crystallographic Communications},
year = {2022},
volume = {78},
publisher = {International Union of Crystallography (IUCr)},
month = {jan},
url = {https://doi.org/10.1107/S2056989021013359},
number = {1},
pages = {80--83},
doi = {10.1107/S2056989021013359}
}
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MLA
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Novikov, Anton P., et al. “Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds.” Acta Crystallographica Section E: Crystallographic Communications, vol. 78, no. 1, Jan. 2022, pp. 80-83. https://doi.org/10.1107/S2056989021013359.