Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one

The coumarin ring system in the title asymmetric alkyne, C(18)H(12)O(2), is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl­benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra­molecular zigzag chains along th...

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Detalles Bibliográficos
Autores principales: Caracelli, Ignez, Maganhi, Stella H., Stefani, Hélio A., Gueogjian, Karina, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384545/
https://www.ncbi.nlm.nih.gov/pubmed/25878887
http://dx.doi.org/10.1107/S2056989014027790
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author Caracelli, Ignez
Maganhi, Stella H.
Stefani, Hélio A.
Gueogjian, Karina
Tiekink, Edward R. T.
author_facet Caracelli, Ignez
Maganhi, Stella H.
Stefani, Hélio A.
Gueogjian, Karina
Tiekink, Edward R. T.
author_sort Caracelli, Ignez
collection PubMed
description The coumarin ring system in the title asymmetric alkyne, C(18)H(12)O(2), is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl­benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra­molecular zigzag chains along the c-axis direction are formed via weak C—H⋯O hydrogen bonds, and these are connected into double layers via weak C—H⋯π inter­actions; these stack along the a axis.
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spelling pubmed-43845452015-04-15 Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one Caracelli, Ignez Maganhi, Stella H. Stefani, Hélio A. Gueogjian, Karina Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports The coumarin ring system in the title asymmetric alkyne, C(18)H(12)O(2), is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl­benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra­molecular zigzag chains along the c-axis direction are formed via weak C—H⋯O hydrogen bonds, and these are connected into double layers via weak C—H⋯π inter­actions; these stack along the a axis. International Union of Crystallography 2015-01-10 /pmc/articles/PMC4384545/ /pubmed/25878887 http://dx.doi.org/10.1107/S2056989014027790 Text en © Caracelli et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Caracelli, Ignez
Maganhi, Stella H.
Stefani, Hélio A.
Gueogjian, Karina
Tiekink, Edward R. T.
Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one
title Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one
title_full Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one
title_fullStr Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one
title_full_unstemmed Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one
title_short Crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2H-chromen-2-one
title_sort crystal structure of 3-[2-(4-methyl­phen­yl)ethyn­yl]-2h-chromen-2-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384545/
https://www.ncbi.nlm.nih.gov/pubmed/25878887
http://dx.doi.org/10.1107/S2056989014027790
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