Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate

Methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate, C(17)H(13)NO(4) (1), was pre­pared by condensation between 4-hy­droxy­coumarin and methyl 2-amino­benzoate. It crystallizes in the ortho­rhom­bic space group Pca2(1) at 300 K. The mol­ecule of compound 1 consists of the 2H-chromen-2-one part connected...

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Autores principales: Hollauer, Henrique V. P., Vilas Novas, Rachel C., Guedes, Guilherme P., Buarque, Camilla D., Escobar, Lívia B. L.
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/PMC10483563/
https://www.ncbi.nlm.nih.gov/pubmed/37693666
http://dx.doi.org/10.1107/S2056989023007351
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author Hollauer, Henrique V. P.
Vilas Novas, Rachel C.
Guedes, Guilherme P.
Buarque, Camilla D.
Escobar, Lívia B. L.
author_facet Hollauer, Henrique V. P.
Vilas Novas, Rachel C.
Guedes, Guilherme P.
Buarque, Camilla D.
Escobar, Lívia B. L.
author_sort Hollauer, Henrique V. P.
collection PubMed
description Methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate, C(17)H(13)NO(4) (1), was pre­pared by condensation between 4-hy­droxy­coumarin and methyl 2-amino­benzoate. It crystallizes in the ortho­rhom­bic space group Pca2(1) at 300 K. The mol­ecule of compound 1 consists of the 2H-chromen-2-one part connected by an amine moiety (–NH–) to the methyl benzoate ring. The supra­molecular array is formed by hydrogen bonds between the aromatic ring and the O atoms of the lactone and ester portions. The structural details match the spectroscopic data acquired from NMR and IR spectroscopy.
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spelling pubmed-104835632023-09-08 Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate Hollauer, Henrique V. P. Vilas Novas, Rachel C. Guedes, Guilherme P. Buarque, Camilla D. Escobar, Lívia B. L. Acta Crystallogr E Crystallogr Commun Research Communications Methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate, C(17)H(13)NO(4) (1), was pre­pared by condensation between 4-hy­droxy­coumarin and methyl 2-amino­benzoate. It crystallizes in the ortho­rhom­bic space group Pca2(1) at 300 K. The mol­ecule of compound 1 consists of the 2H-chromen-2-one part connected by an amine moiety (–NH–) to the methyl benzoate ring. The supra­molecular array is formed by hydrogen bonds between the aromatic ring and the O atoms of the lactone and ester portions. The structural details match the spectroscopic data acquired from NMR and IR spectroscopy. International Union of Crystallography 2023-08-29 /pmc/articles/PMC10483563/ /pubmed/37693666 http://dx.doi.org/10.1107/S2056989023007351 Text en © Hollauer 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
Hollauer, Henrique V. P.
Vilas Novas, Rachel C.
Guedes, Guilherme P.
Buarque, Camilla D.
Escobar, Lívia B. L.
Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate
title Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate
title_full Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate
title_fullStr Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate
title_full_unstemmed Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate
title_short Synthesis, characterization and crystal structure of methyl 2-(2-oxo-2H-chromen-4-yl­amino)­benzoate
title_sort synthesis, characterization and crystal structure of methyl 2-(2-oxo-2h-chromen-4-yl­amino)­benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483563/
https://www.ncbi.nlm.nih.gov/pubmed/37693666
http://dx.doi.org/10.1107/S2056989023007351
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