Aripiprazole salts: I. Aripiprazole nitrate

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 repo...

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Detalles Bibliográficos
Autores: Freire Espeleta, Eleonora, Polla, Griselda Ines, Baggio, Ricardo Fortunato
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2012
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/189220
Acceso en línea:http://hdl.handle.net/11336/189220
Access Level:acceso abierto
Palabra clave:Arippiprazol
Sal
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
Descripción
Sumario: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).