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

The title compound, C(18)H(23)FO(5), was synthesized by reacting diethyl malonate with 1-(4-fluoro­phen­yl)-3-methyl­but-2-en-1-one. The mol­ecule adopts a loose conformation stabilized by weak C—H⋯O and C—H⋯π inter­actions. In the crystal, the mol­ecules are joined by C—H⋯O contacts into infinite c...

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Autores principales: Chandrashekharappa, Sandeep, Bairagi, Keshab M., Mohan, Mahendra K., Venugopala, Katharigatta N., Nayak, Susanta K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176437/
https://www.ncbi.nlm.nih.gov/pubmed/30319785
http://dx.doi.org/10.1107/S2056989018012094
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author Chandrashekharappa, Sandeep
Bairagi, Keshab M.
Mohan, Mahendra K.
Venugopala, Katharigatta N.
Nayak, Susanta K.
author_facet Chandrashekharappa, Sandeep
Bairagi, Keshab M.
Mohan, Mahendra K.
Venugopala, Katharigatta N.
Nayak, Susanta K.
author_sort Chandrashekharappa, Sandeep
collection PubMed
description The title compound, C(18)H(23)FO(5), was synthesized by reacting diethyl malonate with 1-(4-fluoro­phen­yl)-3-methyl­but-2-en-1-one. The mol­ecule adopts a loose conformation stabilized by weak C—H⋯O and C—H⋯π inter­actions. In the crystal, the mol­ecules are joined by C—H⋯O contacts into infinite chains along the b-axis direction with a C(6) graph-set motif. Hirshfeld surface analysis and fingerprint plots demonstrate the predominance of H⋯H, O⋯H and F⋯H inter­molecular inter­actions in the crystal structure.
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spelling pubmed-61764372018-10-12 Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate Chandrashekharappa, Sandeep Bairagi, Keshab M. Mohan, Mahendra K. Venugopala, Katharigatta N. Nayak, Susanta K. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(18)H(23)FO(5), was synthesized by reacting diethyl malonate with 1-(4-fluoro­phen­yl)-3-methyl­but-2-en-1-one. The mol­ecule adopts a loose conformation stabilized by weak C—H⋯O and C—H⋯π inter­actions. In the crystal, the mol­ecules are joined by C—H⋯O contacts into infinite chains along the b-axis direction with a C(6) graph-set motif. Hirshfeld surface analysis and fingerprint plots demonstrate the predominance of H⋯H, O⋯H and F⋯H inter­molecular inter­actions in the crystal structure. International Union of Crystallography 2018-09-07 /pmc/articles/PMC6176437/ /pubmed/30319785 http://dx.doi.org/10.1107/S2056989018012094 Text en © Chandrashekharappa et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Chandrashekharappa, Sandeep
Bairagi, Keshab M.
Mohan, Mahendra K.
Venugopala, Katharigatta N.
Nayak, Susanta K.
Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate
title Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate
title_full Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate
title_fullStr Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate
title_short Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate
title_sort crystal structure and hirshfeld surface analysis of diethyl 2-[4-(4-fluoro­phen­yl)-2-methyl-4-oxobutan-2-yl]malonate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176437/
https://www.ncbi.nlm.nih.gov/pubmed/30319785
http://dx.doi.org/10.1107/S2056989018012094
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