Aripiprazole salts: I. Aripiprazole nitrate

Autores
Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The crystal structure of aripiprazole nitrate (systematic name: 4-(2,3-dichloro-phen-yl)-1-{4-[(2-oxo-1,2,3,4-tetra-hydro-quino-lin-7-yl)-oxy] but-yl}piperazin-1-ium nitrate), C 23H 28Cl 2N 3O 2 +·NO 3 - or AripH +·NO 3 -, is presented and the mol-ecule com-pared with the aripiprazole molecules reported so far in the literature. Bond distances and angles appear very similar, except for a slight lengthening of the C - NH distances involving the protonated N atom, and the main differences are to be found in the mol-ecular spatial arrangement (revealed by the sequence of torsion angles) and the inter-molecular inter-actions (resulting from structural elements specific to this structure, viz. the nitrate counter-ions on one hand and the extra protons on the other hand as hydrogen-bond acceptors and donors, respectively). The result is the formation of [100] strips, laterally linked by weak π-π and C - Cl⋯π inter-actions, leading to a family of undulating sheets parallel to (010).
Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín; Argentina
Fil: Polla, Griselda Ines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
Materia
Arippiprazol
Sal
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/189220
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/189220
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Aripiprazole salts: I. Aripiprazole nitrateFreire Espeleta, EleonoraPolla, Griselda InesBaggio, Ricardo FortunatoArippiprazolSalhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The crystal structure of aripiprazole nitrate (systematic name: 4-(2,3-dichloro-phen-yl)-1-{4-[(2-oxo-1,2,3,4-tetra-hydro-quino-lin-7-yl)-oxy] but-yl}piperazin-1-ium nitrate), C 23H 28Cl 2N 3O 2 +·NO 3 - or AripH +·NO 3 -, is presented and the mol-ecule com-pared with the aripiprazole molecules reported so far in the literature. Bond distances and angles appear very similar, except for a slight lengthening of the C - NH distances involving the protonated N atom, and the main differences are to be found in the mol-ecular spatial arrangement (revealed by the sequence of torsion angles) and the inter-molecular inter-actions (resulting from structural elements specific to this structure, viz. the nitrate counter-ions on one hand and the extra protons on the other hand as hydrogen-bond acceptors and donors, respectively). The result is the formation of [100] strips, laterally linked by weak π-π and C - Cl⋯π inter-actions, leading to a family of undulating sheets parallel to (010).Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín; ArgentinaFil: Polla, Griselda Ines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaWiley Blackwell Publishing, Inc2012-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/189220Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato; Aripiprazole salts: I. Aripiprazole nitrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 68; 4; 3-2012; 170-1730108-2701CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://scripts.iucr.org/cgi-bin/paper?S0108270112010785info:eu-repo/semantics/altIdentifier/doi/10.1107/S0108270112010785info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:45:50Zoai:ri.conicet.gov.ar:11336/189220instacron: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:34982025-09-29 10:45:51.031CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Aripiprazole salts: I. Aripiprazole nitrate
title Aripiprazole salts: I. Aripiprazole nitrate
spellingShingle Aripiprazole salts: I. Aripiprazole nitrate
Freire Espeleta, Eleonora
Arippiprazol
Sal
title_short Aripiprazole salts: I. Aripiprazole nitrate
title_full Aripiprazole salts: I. Aripiprazole nitrate
title_fullStr Aripiprazole salts: I. Aripiprazole nitrate
title_full_unstemmed Aripiprazole salts: I. Aripiprazole nitrate
title_sort Aripiprazole salts: I. Aripiprazole nitrate
dc.creator.none.fl_str_mv Freire Espeleta, Eleonora
Polla, Griselda Ines
Baggio, Ricardo Fortunato
author Freire Espeleta, Eleonora
author_facet Freire Espeleta, Eleonora
Polla, Griselda Ines
Baggio, Ricardo Fortunato
author_role author
author2 Polla, Griselda Ines
Baggio, Ricardo Fortunato
author2_role author
author
dc.subject.none.fl_str_mv Arippiprazol
Sal
topic Arippiprazol
Sal
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The crystal structure of aripiprazole nitrate (systematic name: 4-(2,3-dichloro-phen-yl)-1-{4-[(2-oxo-1,2,3,4-tetra-hydro-quino-lin-7-yl)-oxy] but-yl}piperazin-1-ium nitrate), C 23H 28Cl 2N 3O 2 +·NO 3 - or AripH +·NO 3 -, is presented and the mol-ecule com-pared with the aripiprazole molecules reported so far in the literature. Bond distances and angles appear very similar, except for a slight lengthening of the C - NH distances involving the protonated N atom, and the main differences are to be found in the mol-ecular spatial arrangement (revealed by the sequence of torsion angles) and the inter-molecular inter-actions (resulting from structural elements specific to this structure, viz. the nitrate counter-ions on one hand and the extra protons on the other hand as hydrogen-bond acceptors and donors, respectively). The result is the formation of [100] strips, laterally linked by weak π-π and C - Cl⋯π inter-actions, leading to a family of undulating sheets parallel to (010).
Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín; Argentina
Fil: Polla, Griselda Ines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
description The crystal structure of aripiprazole nitrate (systematic name: 4-(2,3-dichloro-phen-yl)-1-{4-[(2-oxo-1,2,3,4-tetra-hydro-quino-lin-7-yl)-oxy] but-yl}piperazin-1-ium nitrate), C 23H 28Cl 2N 3O 2 +·NO 3 - or AripH +·NO 3 -, is presented and the mol-ecule com-pared with the aripiprazole molecules reported so far in the literature. Bond distances and angles appear very similar, except for a slight lengthening of the C - NH distances involving the protonated N atom, and the main differences are to be found in the mol-ecular spatial arrangement (revealed by the sequence of torsion angles) and the inter-molecular inter-actions (resulting from structural elements specific to this structure, viz. the nitrate counter-ions on one hand and the extra protons on the other hand as hydrogen-bond acceptors and donors, respectively). The result is the formation of [100] strips, laterally linked by weak π-π and C - Cl⋯π inter-actions, leading to a family of undulating sheets parallel to (010).
publishDate 2012
dc.date.none.fl_str_mv 2012-03
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/11336/189220
Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato; Aripiprazole salts: I. Aripiprazole nitrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 68; 4; 3-2012; 170-173
0108-2701
CONICET Digital
CONICET
url http://hdl.handle.net/11336/189220
identifier_str_mv Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato; Aripiprazole salts: I. Aripiprazole nitrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 68; 4; 3-2012; 170-173
0108-2701
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://scripts.iucr.org/cgi-bin/paper?S0108270112010785
info:eu-repo/semantics/altIdentifier/doi/10.1107/S0108270112010785
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
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
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score 13.070432

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