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dc.contributor.author
Freire Espeleta, Eleonora
dc.contributor.author
Polla, Griselda Ines
dc.contributor.author
Baggio, Ricardo Fortunato
dc.date.available
2018-01-16T20:04:27Z
dc.date.issued
2014-04
dc.identifier.citation
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
dc.identifier.issn
0022-2860
dc.identifier.uri
http://hdl.handle.net/11336/33514
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Aripiprazole Salts
dc.subject
Crystal Structures
dc.subject
Anionic/Solvate Network
dc.subject.classification
Otras Ciencias Químicas
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Aripiprazole salts IV. Anionic plus solvato networks defining molecular
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-01-16T18:24:00Z
dc.journal.volume
1068
dc.journal.pagination
43-52
dc.journal.pais
Países Bajos
dc.journal.ciudad
Ámsterdam
dc.description.fil
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
dc.description.fil
Fil: Polla, Griselda Ines. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina
dc.description.fil
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
dc.journal.title
Journal of Molecular Structure
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.molstruc.2014.03.062
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022286014003305


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