Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)

Autores
Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The asymmetric unit of the title salt [systematic name: bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy] butyl}piperazin-1-ium) oxalate-oxalic acid (1/1)], 2C23H28Cl2N3O2 +·C2O4 2-·C2H2O4, consists of one protonated aripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+ cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip + cations is also similar to those in reported Arip compounds crystallizing in the space group P , with head-to-head N - H ⋯O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (01 ). The oxalate anions and oxalic acid molecules form hydrogen-bonded chains running along [010], which 'pierce' the planar ribbons, interacting with them through a number of stronger N - H ⋯O and weaker C - H ⋯O hydrogen bonds, forming a three-dimensional network.
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. Escuela de Ciencia y Tecnología; 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
Aripiprazol
Salts
Oxalate
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:11336/76846
Acceder
id CONICETDig_45d8d9089c41bc3cea58b8cdb0c82879
oai_identifier_str oai:ri.conicet.gov.ar:11336/76846
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)Freire Espeleta, EleonoraPolla, Griselda InesBaggio, Ricardo FortunatoAripiprazolSaltsOxalatehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The asymmetric unit of the title salt [systematic name: bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy] butyl}piperazin-1-ium) oxalate-oxalic acid (1/1)], 2C23H28Cl2N3O2 +·C2O4 2-·C2H2O4, consists of one protonated aripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+ cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip + cations is also similar to those in reported Arip compounds crystallizing in the space group P , with head-to-head N - H ⋯O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (01 ). The oxalate anions and oxalic acid molecules form hydrogen-bonded chains running along [010], which 'pierce' the planar ribbons, interacting with them through a number of stronger N - H ⋯O and weaker C - H ⋯O hydrogen bonds, forming a three-dimensional network.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. Escuela de Ciencia y Tecnología; 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, Inc2013-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/76846Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato; Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1); Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 69; 2; 2-2013; 186-1900108-2701CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0108270113001133info:eu-repo/semantics/altIdentifier/doi/10.1107/S0108270113001133info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:23:03Zoai:ri.conicet.gov.ar:11336/76846instacron: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:34982025-09-10 13:23:03.873CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
title Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
spellingShingle Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
Freire Espeleta, Eleonora
Aripiprazol
Salts
Oxalate
title_short Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
title_full Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
title_fullStr Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
title_full_unstemmed Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
title_sort Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)
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 Aripiprazol
Salts
Oxalate
topic Aripiprazol
Salts
Oxalate
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 asymmetric unit of the title salt [systematic name: bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy] butyl}piperazin-1-ium) oxalate-oxalic acid (1/1)], 2C23H28Cl2N3O2 +·C2O4 2-·C2H2O4, consists of one protonated aripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+ cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip + cations is also similar to those in reported Arip compounds crystallizing in the space group P , with head-to-head N - H ⋯O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (01 ). The oxalate anions and oxalic acid molecules form hydrogen-bonded chains running along [010], which 'pierce' the planar ribbons, interacting with them through a number of stronger N - H ⋯O and weaker C - H ⋯O hydrogen bonds, forming a three-dimensional network.
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. Escuela de Ciencia y Tecnología; 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 asymmetric unit of the title salt [systematic name: bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy] butyl}piperazin-1-ium) oxalate-oxalic acid (1/1)], 2C23H28Cl2N3O2 +·C2O4 2-·C2H2O4, consists of one protonated aripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+ cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip + cations is also similar to those in reported Arip compounds crystallizing in the space group P , with head-to-head N - H ⋯O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (01 ). The oxalate anions and oxalic acid molecules form hydrogen-bonded chains running along [010], which 'pierce' the planar ribbons, interacting with them through a number of stronger N - H ⋯O and weaker C - H ⋯O hydrogen bonds, forming a three-dimensional network.
publishDate 2013
dc.date.none.fl_str_mv 2013-02
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/11336/76846
Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato; Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1); Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 69; 2; 2-2013; 186-190
0108-2701
CONICET Digital
CONICET
url http://hdl.handle.net/11336/76846
identifier_str_mv Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato; Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1); Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 69; 2; 2-2013; 186-190
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/http://scripts.iucr.org/cgi-bin/paper?S0108270113001133
info:eu-repo/semantics/altIdentifier/doi/10.1107/S0108270113001133
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
_version_ 1842981271445176320
score 12.48226

Publicaciones similares