Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro-phen-yl)-2-methyl-4-oxobutan-2-yl]malonate

The title compound, C H FO , was synthesized by reacting diethyl malonate with 1-(4-fluoro-phen-yl)-3-methyl-but-2-en-1-one. The mol-ecule adopts a loose conformation stabilized by weak C-H⋯O and C-H⋯π inter-actions. In the crystal, the mol-ecules are joined by C-H⋯O contacts into infinite chains al...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2018-10, Vol.74 (Pt 10), p.1388-1391
Main Authors: Chandrashekharappa, Sandeep, Bairagi, Keshab M, Mohan, Mahendra K, Venugopala, Katharigatta N, Nayak, Susanta K
Format: Article
Language:English
Subjects:
crystal structure
Hirshfeld surface
malonate
Research Communications
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Summary:The title compound, C H FO , was synthesized by reacting diethyl malonate with 1-(4-fluoro-phen-yl)-3-methyl-but-2-en-1-one. The mol-ecule adopts a loose conformation stabilized by weak C-H⋯O and C-H⋯π inter-actions. In the crystal, the mol-ecules are joined by C-H⋯O contacts into infinite chains along the axis direction with a (6) graph-set motif. Hirshfeld surface analysis and fingerprint plots demonstrate the predominance of H⋯H, O⋯H and F⋯H inter-molecular inter-actions in the crystal structure.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989018012094