Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate

In the title compound, C(12)H(10)O(4), the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C—H⋯O hydrogen bonds generate inversion dimers and and C—H⋯π and π–π inter­actions link the dimers into a thr...

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Autores principales: Ziki, Eric, Yoda, Jules, Djandé, Abdoulaye, Saba, Adama, Kakou-Yao, Rita
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095833/
https://www.ncbi.nlm.nih.gov/pubmed/27840708
http://dx.doi.org/10.1107/S2056989016015279
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author Ziki, Eric
Yoda, Jules
Djandé, Abdoulaye
Saba, Adama
Kakou-Yao, Rita
author_facet Ziki, Eric
Yoda, Jules
Djandé, Abdoulaye
Saba, Adama
Kakou-Yao, Rita
author_sort Ziki, Eric
collection PubMed
description In the title compound, C(12)H(10)O(4), the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C—H⋯O hydrogen bonds generate inversion dimers and and C—H⋯π and π–π inter­actions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.
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spelling pubmed-50958332016-11-11 Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate Ziki, Eric Yoda, Jules Djandé, Abdoulaye Saba, Adama Kakou-Yao, Rita Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(12)H(10)O(4), the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C—H⋯O hydrogen bonds generate inversion dimers and and C—H⋯π and π–π inter­actions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure. International Union of Crystallography 2016-10-11 /pmc/articles/PMC5095833/ /pubmed/27840708 http://dx.doi.org/10.1107/S2056989016015279 Text en © Ziki et al. 2016 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 Research Communications
Ziki, Eric
Yoda, Jules
Djandé, Abdoulaye
Saba, Adama
Kakou-Yao, Rita
Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate
title Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate
title_full Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate
title_fullStr Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate
title_full_unstemmed Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate
title_short Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate
title_sort crystal structure of 2-oxo-2h-chromen-3-yl propano­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095833/
https://www.ncbi.nlm.nih.gov/pubmed/27840708
http://dx.doi.org/10.1107/S2056989016015279
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