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(E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity

The title compound, (E,E)-3-methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none (MBMCP), C(22)H(22)O, was obtained by Claisen–Schmidt condensation of 4-methyl­benzaldehyde with 3-methyl­cyclo­penta­none in good yield. The structure of MBMCP was studied using UV, FT–IR and Raman spectroscopy, sing...

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Autores principales: Mahdi, Fatiha, Sid, Assia, Bouchene, Rafika, Mosset, Paul, Roisnel, Thierry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509686/
https://www.ncbi.nlm.nih.gov/pubmed/31161065
http://dx.doi.org/10.1107/S2056989019003827
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author Mahdi, Fatiha
Sid, Assia
Bouchene, Rafika
Mosset, Paul
Roisnel, Thierry
author_facet Mahdi, Fatiha
Sid, Assia
Bouchene, Rafika
Mosset, Paul
Roisnel, Thierry
author_sort Mahdi, Fatiha
collection PubMed
description The title compound, (E,E)-3-methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none (MBMCP), C(22)H(22)O, was obtained by Claisen–Schmidt condensation of 4-methyl­benzaldehyde with 3-methyl­cyclo­penta­none in good yield. The structure of MBMCP was studied using UV, FT–IR and Raman spectroscopy, single-crystal X-ray diffraction (XRD) measurements, and (1)H and (13)C nuclear magnetic resonance (NMR) spectroscopy. The mol­ecular structure of MBMCP is fully extended in the E,E configuration. C—H⋯π stacking inter­actions play a significant role in the stabilization of the mol­ecular packing. Hirshfeld surface analysis was used to qu­antify the non-covalent inter­actions in the crystal lattice. Microbiological studies were performed to investigate the anti­microbial activity of this new product.
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spelling pubmed-65096862019-06-03 (E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity Mahdi, Fatiha Sid, Assia Bouchene, Rafika Mosset, Paul Roisnel, Thierry Acta Crystallogr E Crystallogr Commun Research Communications The title compound, (E,E)-3-methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none (MBMCP), C(22)H(22)O, was obtained by Claisen–Schmidt condensation of 4-methyl­benzaldehyde with 3-methyl­cyclo­penta­none in good yield. The structure of MBMCP was studied using UV, FT–IR and Raman spectroscopy, single-crystal X-ray diffraction (XRD) measurements, and (1)H and (13)C nuclear magnetic resonance (NMR) spectroscopy. The mol­ecular structure of MBMCP is fully extended in the E,E configuration. C—H⋯π stacking inter­actions play a significant role in the stabilization of the mol­ecular packing. Hirshfeld surface analysis was used to qu­antify the non-covalent inter­actions in the crystal lattice. Microbiological studies were performed to investigate the anti­microbial activity of this new product. International Union of Crystallography 2019-03-26 /pmc/articles/PMC6509686/ /pubmed/31161065 http://dx.doi.org/10.1107/S2056989019003827 Text en © Mahdi et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Mahdi, Fatiha
Sid, Assia
Bouchene, Rafika
Mosset, Paul
Roisnel, Thierry
(E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity
title (E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity
title_full (E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity
title_fullStr (E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity
title_full_unstemmed (E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity
title_short (E,E)-3-Methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, Hirshfeld surface analysis and anti­bacterial activity
title_sort (e,e)-3-methyl-2,5-bis­(4-methyl­benzyl­idene)cyclo­penta­none: synthesis, characterization, hirshfeld surface analysis and anti­bacterial activity
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509686/
https://www.ncbi.nlm.nih.gov/pubmed/31161065
http://dx.doi.org/10.1107/S2056989019003827
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