Venlafaxine besylate monohydrate

Autores
Corvalán Moya, Carolina del Huerto; Vega, Daniel Roberto
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The title compound {systematic name: [2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylazanium benzene­sulfonate monohydrate}, C17H28NO2+·C6H5O3S-·H2O, is a besylate salt hydrate of the anti­depressant drug venlafaxine. In the crystal, besylate anions and water mol­ecules self-assemble, forming hydrogen-bonded dimers linked around inversion centers, with graph set R44(6). The crystal packing features a chain of alternate dimers and venlafaxine cations in the b-axis direction with the components linked by O-H...O hydrogen bonds and C-H...O and C-H...[pi] inter­actions. This is the first example of a venlafaxine cation with a closed conformation, as it features an intra­molecular N-H...O inter­action involving the protonated N atom.
Fil: Corvalán Moya, Carolina del Huerto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Vega, Daniel Roberto. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
Materia
Single-crystal
X-ray study
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/23787
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/23787
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Venlafaxine besylate monohydrateCorvalán Moya, Carolina del HuertoVega, Daniel RobertoSingle-crystalX-ray studyhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The title compound {systematic name: [2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylazanium benzene­sulfonate monohydrate}, C17H28NO2+·C6H5O3S-·H2O, is a besylate salt hydrate of the anti­depressant drug venlafaxine. In the crystal, besylate anions and water mol­ecules self-assemble, forming hydrogen-bonded dimers linked around inversion centers, with graph set R44(6). The crystal packing features a chain of alternate dimers and venlafaxine cations in the b-axis direction with the components linked by O-H...O hydrogen bonds and C-H...O and C-H...[pi] inter­actions. This is the first example of a venlafaxine cation with a closed conformation, as it features an intra­molecular N-H...O inter­action involving the protonated N atom.Fil: Corvalán Moya, Carolina del Huerto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Vega, Daniel Roberto. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaInternational Union of Crystallography2013-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/23787Corvalán Moya, Carolina del Huerto; Vega, Daniel Roberto; Venlafaxine besylate monohydrate; International Union of Crystallography; Acta Crystallographica Section E: Crystallographic Communications; 69; 11-2013; 1737-17382056-9890CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600536813027542info:eu-repo/semantics/altIdentifier/doi/10.1107/S1600536813027542info:eu-repo/semantics/altIdentifier/url/https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885021/info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:19:04Zoai:ri.conicet.gov.ar:11336/23787instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 15:19:05.022CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Venlafaxine besylate monohydrate
title Venlafaxine besylate monohydrate
spellingShingle Venlafaxine besylate monohydrate
Corvalán Moya, Carolina del Huerto
Single-crystal
X-ray study
title_short Venlafaxine besylate monohydrate
title_full Venlafaxine besylate monohydrate
title_fullStr Venlafaxine besylate monohydrate
title_full_unstemmed Venlafaxine besylate monohydrate
title_sort Venlafaxine besylate monohydrate
dc.creator.none.fl_str_mv Corvalán Moya, Carolina del Huerto
Vega, Daniel Roberto
author Corvalán Moya, Carolina del Huerto
author_facet Corvalán Moya, Carolina del Huerto
Vega, Daniel Roberto
author_role author
author2 Vega, Daniel Roberto
author2_role author
dc.subject.none.fl_str_mv Single-crystal
X-ray study
topic Single-crystal
X-ray study
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The title compound {systematic name: [2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylazanium benzene­sulfonate monohydrate}, C17H28NO2+·C6H5O3S-·H2O, is a besylate salt hydrate of the anti­depressant drug venlafaxine. In the crystal, besylate anions and water mol­ecules self-assemble, forming hydrogen-bonded dimers linked around inversion centers, with graph set R44(6). The crystal packing features a chain of alternate dimers and venlafaxine cations in the b-axis direction with the components linked by O-H...O hydrogen bonds and C-H...O and C-H...[pi] inter­actions. This is the first example of a venlafaxine cation with a closed conformation, as it features an intra­molecular N-H...O inter­action involving the protonated N atom.
Fil: Corvalán Moya, Carolina del Huerto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Vega, Daniel Roberto. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
description The title compound {systematic name: [2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylazanium benzene­sulfonate monohydrate}, C17H28NO2+·C6H5O3S-·H2O, is a besylate salt hydrate of the anti­depressant drug venlafaxine. In the crystal, besylate anions and water mol­ecules self-assemble, forming hydrogen-bonded dimers linked around inversion centers, with graph set R44(6). The crystal packing features a chain of alternate dimers and venlafaxine cations in the b-axis direction with the components linked by O-H...O hydrogen bonds and C-H...O and C-H...[pi] inter­actions. This is the first example of a venlafaxine cation with a closed conformation, as it features an intra­molecular N-H...O inter­action involving the protonated N atom.
publishDate 2013
dc.date.none.fl_str_mv 2013-11
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/23787
Corvalán Moya, Carolina del Huerto; Vega, Daniel Roberto; Venlafaxine besylate monohydrate; International Union of Crystallography; Acta Crystallographica Section E: Crystallographic Communications; 69; 11-2013; 1737-1738
2056-9890
CONICET Digital
CONICET
url http://hdl.handle.net/11336/23787
identifier_str_mv Corvalán Moya, Carolina del Huerto; Vega, Daniel Roberto; Venlafaxine besylate monohydrate; International Union of Crystallography; Acta Crystallographica Section E: Crystallographic Communications; 69; 11-2013; 1737-1738
2056-9890
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600536813027542
info:eu-repo/semantics/altIdentifier/doi/10.1107/S1600536813027542
info:eu-repo/semantics/altIdentifier/url/https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885021/
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv International Union of Crystallography
publisher.none.fl_str_mv International Union of Crystallography
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1846083339701714944
score 13.22299

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