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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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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)