The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one

The synthesis, crystal structure and spectroscopic analysis of (E)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)-3-(4-chloro­phen­yl)prop-2-en-1-one (C(17)H(13)ClO(3)), a substituted chalcone, are described. The overall geometry of the mol­ecule is largely planar (r.m.s. deviation = 0.1742 Å), but sligh...

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Autores principales: Vinaya, Richard, Austin S., Murthy, Subbiah M., Basavaraju, Yeriyur B., Yathirajan, Hemmige S., Parkin, Sean
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439433/
https://www.ncbi.nlm.nih.gov/pubmed/37601584
http://dx.doi.org/10.1107/S2056989023005613
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author Vinaya
Richard, Austin S.
Murthy, Subbiah M.
Basavaraju, Yeriyur B.
Yathirajan, Hemmige S.
Parkin, Sean
author_facet Vinaya
Richard, Austin S.
Murthy, Subbiah M.
Basavaraju, Yeriyur B.
Yathirajan, Hemmige S.
Parkin, Sean
author_sort Vinaya
collection PubMed
description The synthesis, crystal structure and spectroscopic analysis of (E)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)-3-(4-chloro­phen­yl)prop-2-en-1-one (C(17)H(13)ClO(3)), a substituted chalcone, are described. The overall geometry of the mol­ecule is largely planar (r.m.s. deviation = 0.1742 Å), but slightly kinked, leading to a dihedral angle between the planes of the benzene rings at either side of the mol­ecule of 8.31 (9)°. In the crystal, only weak inter­actions determine the packing motifs. These include C—H⋯O and C—H⋯Cl hydrogen bonds and π–π overlap of aromatic rings.
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spelling pubmed-104394332023-08-20 The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one Vinaya Richard, Austin S. Murthy, Subbiah M. Basavaraju, Yeriyur B. Yathirajan, Hemmige S. Parkin, Sean Acta Crystallogr E Crystallogr Commun Research Communications The synthesis, crystal structure and spectroscopic analysis of (E)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)-3-(4-chloro­phen­yl)prop-2-en-1-one (C(17)H(13)ClO(3)), a substituted chalcone, are described. The overall geometry of the mol­ecule is largely planar (r.m.s. deviation = 0.1742 Å), but slightly kinked, leading to a dihedral angle between the planes of the benzene rings at either side of the mol­ecule of 8.31 (9)°. In the crystal, only weak inter­actions determine the packing motifs. These include C—H⋯O and C—H⋯Cl hydrogen bonds and π–π overlap of aromatic rings. International Union of Crystallography 2023-06-30 /pmc/articles/PMC10439433/ /pubmed/37601584 http://dx.doi.org/10.1107/S2056989023005613 Text en © Vinaya et al. 2023 https://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.
spellingShingle Research Communications
Vinaya
Richard, Austin S.
Murthy, Subbiah M.
Basavaraju, Yeriyur B.
Yathirajan, Hemmige S.
Parkin, Sean
The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
title The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
title_full The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
title_fullStr The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
title_full_unstemmed The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
title_short The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
title_sort synthesis, crystal structure and spectroscopic analysis of (e)-3-(4-chloro­phen­yl)-1-(2,3-di­hydro­benzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439433/
https://www.ncbi.nlm.nih.gov/pubmed/37601584
http://dx.doi.org/10.1107/S2056989023005613
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