Aripiprazole salts IV. Anionic plus solvato networks defining molecular

Autores
Freire Espeleta, Eleonora; Polla, Griselda Ines; Baggio, Ricardo Fortunato
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Five new examples of aripiprazole (arip) salts are presented, viz., the Harip phthalate [Harip+·C8H5O4− (I)], homophthalate [Harip+·C9H7O4− (II)] and thiosalicilate [Harip+·C7H4O2S− (III)] salts on one side, and two different dihidrogenphosphates, Harip+·H2PO4−·2(H3PO4)·H2O (IV) and Harip+·H2PO4−·H3PO4 (V). Regarding the internal structure of the aripH+ cations, they do not differ from the already known moieties in bond distances and angles, while interesting differences in conformation can be observed, setting them apart in two groups: those in I, II and III present similar conformations to those in the so far reported arip salts presenting the same centrosymmetric R(8)22 dimeric synthon, but different to those in IV and V. In parallel, the anion (+ acid) groups define bulky systems of different dimensionality (1D in the former group, 2D in the latter). The correlation between arip molecular conformation and anionic network type is discussed. An interesting feature arises with the water solvato molecule in IV, disordered around an inversion center, in regard with its interaction with an (also disordered) phosphato O–H, in a way that an “orderly disordered” H-bonding scheme arises, complying with the S.G. symmetry requirements only on average.
Fil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Polla, Griselda Ines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
Fil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
Materia
Aripiprazole Salts
Crystal Structures
Anionic/Solvate Network
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:11336/33514
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/33514
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network_name_str CONICET Digital (CONICET)
spelling Aripiprazole salts IV. Anionic plus solvato networks defining molecularFreire Espeleta, EleonoraPolla, Griselda InesBaggio, Ricardo FortunatoAripiprazole SaltsCrystal StructuresAnionic/Solvate Networkhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Five new examples of aripiprazole (arip) salts are presented, viz., the Harip phthalate [Harip+·C8H5O4− (I)], homophthalate [Harip+·C9H7O4− (II)] and thiosalicilate [Harip+·C7H4O2S− (III)] salts on one side, and two different dihidrogenphosphates, Harip+·H2PO4−·2(H3PO4)·H2O (IV) and Harip+·H2PO4−·H3PO4 (V). Regarding the internal structure of the aripH+ cations, they do not differ from the already known moieties in bond distances and angles, while interesting differences in conformation can be observed, setting them apart in two groups: those in I, II and III present similar conformations to those in the so far reported arip salts presenting the same centrosymmetric R(8)22 dimeric synthon, but different to those in IV and V. In parallel, the anion (+ acid) groups define bulky systems of different dimensionality (1D in the former group, 2D in the latter). The correlation between arip molecular conformation and anionic network type is discussed. An interesting feature arises with the water solvato molecule in IV, disordered around an inversion center, in regard with its interaction with an (also disordered) phosphato O–H, in a way that an “orderly disordered” H-bonding scheme arises, complying with the S.G. symmetry requirements only on average.Fil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Polla, Griselda Ines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaFil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaElsevier2014-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/33514Polla, Griselda Ines; Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Aripiprazole salts IV. Anionic plus solvato networks defining molecular; Elsevier; Journal of Molecular Structure; 1068; 4-2014; 43-520022-2860CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.molstruc.2014.03.062info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022286014003305info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:24:08Zoai:ri.conicet.gov.ar:11336/33514instacron: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 10:24:08.42CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Aripiprazole salts IV. Anionic plus solvato networks defining molecular
title Aripiprazole salts IV. Anionic plus solvato networks defining molecular
spellingShingle Aripiprazole salts IV. Anionic plus solvato networks defining molecular
Freire Espeleta, Eleonora
Aripiprazole Salts
Crystal Structures
Anionic/Solvate Network
title_short Aripiprazole salts IV. Anionic plus solvato networks defining molecular
title_full Aripiprazole salts IV. Anionic plus solvato networks defining molecular
title_fullStr Aripiprazole salts IV. Anionic plus solvato networks defining molecular
title_full_unstemmed Aripiprazole salts IV. Anionic plus solvato networks defining molecular
title_sort Aripiprazole salts IV. Anionic plus solvato networks defining molecular
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 Aripiprazole Salts
Crystal Structures
Anionic/Solvate Network
topic Aripiprazole Salts
Crystal Structures
Anionic/Solvate Network
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Five new examples of aripiprazole (arip) salts are presented, viz., the Harip phthalate [Harip+·C8H5O4− (I)], homophthalate [Harip+·C9H7O4− (II)] and thiosalicilate [Harip+·C7H4O2S− (III)] salts on one side, and two different dihidrogenphosphates, Harip+·H2PO4−·2(H3PO4)·H2O (IV) and Harip+·H2PO4−·H3PO4 (V). Regarding the internal structure of the aripH+ cations, they do not differ from the already known moieties in bond distances and angles, while interesting differences in conformation can be observed, setting them apart in two groups: those in I, II and III present similar conformations to those in the so far reported arip salts presenting the same centrosymmetric R(8)22 dimeric synthon, but different to those in IV and V. In parallel, the anion (+ acid) groups define bulky systems of different dimensionality (1D in the former group, 2D in the latter). The correlation between arip molecular conformation and anionic network type is discussed. An interesting feature arises with the water solvato molecule in IV, disordered around an inversion center, in regard with its interaction with an (also disordered) phosphato O–H, in a way that an “orderly disordered” H-bonding scheme arises, complying with the S.G. symmetry requirements only on average.
Fil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Polla, Griselda Ines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
Fil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
description Five new examples of aripiprazole (arip) salts are presented, viz., the Harip phthalate [Harip+·C8H5O4− (I)], homophthalate [Harip+·C9H7O4− (II)] and thiosalicilate [Harip+·C7H4O2S− (III)] salts on one side, and two different dihidrogenphosphates, Harip+·H2PO4−·2(H3PO4)·H2O (IV) and Harip+·H2PO4−·H3PO4 (V). Regarding the internal structure of the aripH+ cations, they do not differ from the already known moieties in bond distances and angles, while interesting differences in conformation can be observed, setting them apart in two groups: those in I, II and III present similar conformations to those in the so far reported arip salts presenting the same centrosymmetric R(8)22 dimeric synthon, but different to those in IV and V. In parallel, the anion (+ acid) groups define bulky systems of different dimensionality (1D in the former group, 2D in the latter). The correlation between arip molecular conformation and anionic network type is discussed. An interesting feature arises with the water solvato molecule in IV, disordered around an inversion center, in regard with its interaction with an (also disordered) phosphato O–H, in a way that an “orderly disordered” H-bonding scheme arises, complying with the S.G. symmetry requirements only on average.
publishDate 2014
dc.date.none.fl_str_mv 2014-04
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/11336/33514
Polla, Griselda Ines; Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Aripiprazole salts IV. Anionic plus solvato networks defining molecular; Elsevier; Journal of Molecular Structure; 1068; 4-2014; 43-52
0022-2860
CONICET Digital
CONICET
url http://hdl.handle.net/11336/33514
identifier_str_mv Polla, Griselda Ines; Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Aripiprazole salts IV. Anionic plus solvato networks defining molecular; Elsevier; Journal of Molecular Structure; 1068; 4-2014; 43-52
0022-2860
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molstruc.2014.03.062
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022286014003305
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
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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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