Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Outros Autores: | , , , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Research, Society and Development |
DOI: | 10.33448/rsd-v11i9.31433 |
Texto Completo: | https://rsdjournal.org/index.php/rsd/article/view/31433 |
Resumo: | Chalcones, flavonoids, isoflavonoids and other derived substances have been extensively studied in recent years presenting various pharmacological activities and in some cases presenting very important physical properties such as non-linear optical properties (ONL). Recently it was observed that the compound 1-(2'-hydroxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-propan-1-one is an intermediate precursor in the biosynthesis of (2E)-1-(2-hydroxyphenyl) -3-(4-methoxyphenyl)prop-2-en-1-one, which is a compound belonging to the class of chalcones. After this observation, said precursor compound was crystallized in the laboratory and its crystal structure was identified by X-ray diffraction. The title compound was synthesized and crystallized from methanol in the centrosymmetric space group P21/c. The geometric parameters and supramolecular arrangement of the crystal structure obtained from single crystal X-ray diffraction data were analyzed. Furthermore, the vibrational properties were characterized by Raman spectroscopy. The attributions of the vibrational modes and detailed information of the synthesis are presented. |
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Research, Society and Development |
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Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational propertiesMonocristales de 1-(2'-hidroxifenil)-3-hidroxi-3-(4-metoxifenil)-propan-1-ona: Síntesis, estructura y propiedades vibratóriasMonocristais de 1-(2'-hidroxifenil)-3-hidroxi-3-(4-metoxifenil)-propan-1-ona: Síntese, estrutura e propriedades vibracionaisDerivados de chalconasSíntese de flavonóidesEstrutura de flavonóidesRaman em flavonóides.Derivados de chalconasSíntesis de flavonoidesEstructura de flavonoidesRaman en flavonoides.Chalcones derivativesFlavonoid synthesisFlavonoids structureRaman in flavonoids.Chalcones, flavonoids, isoflavonoids and other derived substances have been extensively studied in recent years presenting various pharmacological activities and in some cases presenting very important physical properties such as non-linear optical properties (ONL). Recently it was observed that the compound 1-(2'-hydroxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-propan-1-one is an intermediate precursor in the biosynthesis of (2E)-1-(2-hydroxyphenyl) -3-(4-methoxyphenyl)prop-2-en-1-one, which is a compound belonging to the class of chalcones. After this observation, said precursor compound was crystallized in the laboratory and its crystal structure was identified by X-ray diffraction. The title compound was synthesized and crystallized from methanol in the centrosymmetric space group P21/c. The geometric parameters and supramolecular arrangement of the crystal structure obtained from single crystal X-ray diffraction data were analyzed. Furthermore, the vibrational properties were characterized by Raman spectroscopy. The attributions of the vibrational modes and detailed information of the synthesis are presented.Las chalconas, flavonoides, isoflavonoides y otras sustancias derivadas han sido ampliamente estudiadas en los últimos años presentando diversas actividades farmacológicas y en algunos casos presentando propiedades físicas muy importantes como las propiedades ópticas no lineales (ONL). Recientemente se observó que el compuesto 1-(2'-hidroxifenil)-3-hidroxi-3-(4-metoxifenil)-propan-1-ona es un precursor intermedio en la biosíntesis de (2E)-1-(2- hidroxifenil) -3-(4-metoxifenil)prop-2-en-1-ona, que es un compuesto que pertenece a la clase de las chalconas. Después de esta observación, dicho compuesto precursor se cristalizó en el laboratorio y se identificó su estructura cristalina por difracción de rayos X. El compuesto del título se sintetizó y cristalizó a partir de metanol en el grupo espacial centrosimétrico P21/c. Se analizaron los parámetros geométricos y la disposición supramolecular de la estructura cristalina obtenida a partir de datos de difracción de rayos X de monocristal. Además, las propiedades vibratorias se caracterizaron por espectroscopía Raman. Se presentan las atribuciones de los modos vibracionales e información detallada de la síntesis.Chalconas, flavonóides, isoflavonóides e outras substâncias derivadas têm sido muito estudadas nos anos recentes apresentando várias atividades farmacológicas e em alguns casos apresentando propriedades físicas muito importantes como as propriedades óticas não lineares (ONL). Recentemente observou-se que o composto 1-(2'-hidroxifenil)-3-hidroxi-3-(4-metoxifenil)-propan-1-ona é um precursor intermediário na biossíntese de (2E)-1-(2-hidroxifenil) -3-(4-metoxifenil)prop-2-en-1-ona, que é um composto pertencente a classe das chalconas. Após esta observação o referido composto precursor foi cristalizado em laboratório e sua estrutura cristalina foi identificada por difração de raios X. O composto do título foi sintetizado e cristalizado a partir de metanol no grupo espacial centrossimétrico P21/c. Foram analisados os parâmetros geométricos e arranjo supramolecular da estrutura cristalina obtida a partir de dados de difração de raios X de monocristal. Além disso, as propriedades vibracionais foram caracterizadas por espectroscopia Raman. São apresentadas as atribuições dos modos vibracionais e informações detalhadas da síntese.Research, Society and Development2022-07-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://rsdjournal.org/index.php/rsd/article/view/3143310.33448/rsd-v11i9.31433Research, Society and Development; Vol. 11 No. 9; e10311931433Research, Society and Development; Vol. 11 Núm. 9; e10311931433Research, Society and Development; v. 11 n. 9; e103119314332525-3409reponame:Research, Society and Developmentinstname:Universidade Federal de Itajubá (UNIFEI)instacron:UNIFEIporhttps://rsdjournal.org/index.php/rsd/article/view/31433/26962Copyright (c) 2022 Heriberto Rodrigues Bitencourt ; José Ciriaco Pinheiro; Antônio Pedro da Silva Souza Filho; Sanclayton Geraldo Moreira; Alejandro Pedro Ayala; Cláudio Márcio Rocha Remédioshttps://creativecommons.org/licenses/by/4.0info:eu-repo/semantics/openAccessBitencourt , Heriberto Rodrigues Pinheiro, José Ciriaco Souza Filho, Antônio Pedro da Silva Moreira, Sanclayton Geraldo Ayala, Alejandro PedroRemédios, Cláudio Márcio Rocha2022-07-21T12:36:16Zoai:ojs.pkp.sfu.ca:article/31433Revistahttps://rsdjournal.org/index.php/rsd/indexPUBhttps://rsdjournal.org/index.php/rsd/oairsd.articles@gmail.com2525-34092525-3409opendoar:2024-01-17T09:47:46.936175Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)false |
dc.title.none.fl_str_mv |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties Monocristales de 1-(2'-hidroxifenil)-3-hidroxi-3-(4-metoxifenil)-propan-1-ona: Síntesis, estructura y propiedades vibratórias Monocristais de 1-(2'-hidroxifenil)-3-hidroxi-3-(4-metoxifenil)-propan-1-ona: Síntese, estrutura e propriedades vibracionais |
title |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties |
spellingShingle |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties Bitencourt , Heriberto Rodrigues Derivados de chalconas Síntese de flavonóides Estrutura de flavonóides Raman em flavonóides. Derivados de chalconas Síntesis de flavonoides Estructura de flavonoides Raman en flavonoides. Chalcones derivatives Flavonoid synthesis Flavonoids structure Raman in flavonoids. Bitencourt , Heriberto Rodrigues Derivados de chalconas Síntese de flavonóides Estrutura de flavonóides Raman em flavonóides. Derivados de chalconas Síntesis de flavonoides Estructura de flavonoides Raman en flavonoides. Chalcones derivatives Flavonoid synthesis Flavonoids structure Raman in flavonoids. |
title_short |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties |
title_full |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties |
title_fullStr |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties |
title_full_unstemmed |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties |
title_sort |
Single Crystal of 1-(2'-hidroxyphenyl)-3-hidroxy-3-(4-methoxyphenil)-propan-1-one: Synthesis, structure and vibrational properties |
author |
Bitencourt , Heriberto Rodrigues |
author_facet |
Bitencourt , Heriberto Rodrigues Bitencourt , Heriberto Rodrigues Pinheiro, José Ciriaco Souza Filho, Antônio Pedro da Silva Moreira, Sanclayton Geraldo Ayala, Alejandro Pedro Remédios, Cláudio Márcio Rocha Pinheiro, José Ciriaco Souza Filho, Antônio Pedro da Silva Moreira, Sanclayton Geraldo Ayala, Alejandro Pedro Remédios, Cláudio Márcio Rocha |
author_role |
author |
author2 |
Pinheiro, José Ciriaco Souza Filho, Antônio Pedro da Silva Moreira, Sanclayton Geraldo Ayala, Alejandro Pedro Remédios, Cláudio Márcio Rocha |
author2_role |
author author author author author |
dc.contributor.author.fl_str_mv |
Bitencourt , Heriberto Rodrigues Pinheiro, José Ciriaco Souza Filho, Antônio Pedro da Silva Moreira, Sanclayton Geraldo Ayala, Alejandro Pedro Remédios, Cláudio Márcio Rocha |
dc.subject.por.fl_str_mv |
Derivados de chalconas Síntese de flavonóides Estrutura de flavonóides Raman em flavonóides. Derivados de chalconas Síntesis de flavonoides Estructura de flavonoides Raman en flavonoides. Chalcones derivatives Flavonoid synthesis Flavonoids structure Raman in flavonoids. |
topic |
Derivados de chalconas Síntese de flavonóides Estrutura de flavonóides Raman em flavonóides. Derivados de chalconas Síntesis de flavonoides Estructura de flavonoides Raman en flavonoides. Chalcones derivatives Flavonoid synthesis Flavonoids structure Raman in flavonoids. |
description |
Chalcones, flavonoids, isoflavonoids and other derived substances have been extensively studied in recent years presenting various pharmacological activities and in some cases presenting very important physical properties such as non-linear optical properties (ONL). Recently it was observed that the compound 1-(2'-hydroxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-propan-1-one is an intermediate precursor in the biosynthesis of (2E)-1-(2-hydroxyphenyl) -3-(4-methoxyphenyl)prop-2-en-1-one, which is a compound belonging to the class of chalcones. After this observation, said precursor compound was crystallized in the laboratory and its crystal structure was identified by X-ray diffraction. The title compound was synthesized and crystallized from methanol in the centrosymmetric space group P21/c. The geometric parameters and supramolecular arrangement of the crystal structure obtained from single crystal X-ray diffraction data were analyzed. Furthermore, the vibrational properties were characterized by Raman spectroscopy. The attributions of the vibrational modes and detailed information of the synthesis are presented. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-07-04 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://rsdjournal.org/index.php/rsd/article/view/31433 10.33448/rsd-v11i9.31433 |
url |
https://rsdjournal.org/index.php/rsd/article/view/31433 |
identifier_str_mv |
10.33448/rsd-v11i9.31433 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
https://rsdjournal.org/index.php/rsd/article/view/31433/26962 |
dc.rights.driver.fl_str_mv |
https://creativecommons.org/licenses/by/4.0 info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by/4.0 |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Research, Society and Development |
publisher.none.fl_str_mv |
Research, Society and Development |
dc.source.none.fl_str_mv |
Research, Society and Development; Vol. 11 No. 9; e10311931433 Research, Society and Development; Vol. 11 Núm. 9; e10311931433 Research, Society and Development; v. 11 n. 9; e10311931433 2525-3409 reponame:Research, Society and Development instname:Universidade Federal de Itajubá (UNIFEI) instacron:UNIFEI |
instname_str |
Universidade Federal de Itajubá (UNIFEI) |
instacron_str |
UNIFEI |
institution |
UNIFEI |
reponame_str |
Research, Society and Development |
collection |
Research, Society and Development |
repository.name.fl_str_mv |
Research, Society and Development - Universidade Federal de Itajubá (UNIFEI) |
repository.mail.fl_str_mv |
rsd.articles@gmail.com |
_version_ |
1822178555535032320 |
dc.identifier.doi.none.fl_str_mv |
10.33448/rsd-v11i9.31433 |