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Paliperidonium nitrate

In the title mol­ecular salt (systematic name: 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]eth­yl}-9-hy­droxy-2-methyl-1,6,7,8,9,9a-hexa­hydro­pyrido[1,2-a]pyrimidin-4-one nitrate), C(23)H(29)FN(4)O(3) (+)·NO(3) (−), the piperidine ring displays a chair conformation and its N atom is proton...

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Detalles Bibliográficos
Autores principales: Ge, Jingshui, Luo, Yang-Hui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470306/
https://www.ncbi.nlm.nih.gov/pubmed/23125719
http://dx.doi.org/10.1107/S160053681203841X
Descripción
Sumario:In the title mol­ecular salt (systematic name: 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]eth­yl}-9-hy­droxy-2-methyl-1,6,7,8,9,9a-hexa­hydro­pyrido[1,2-a]pyrimidin-4-one nitrate), C(23)H(29)FN(4)O(3) (+)·NO(3) (−), the piperidine ring displays a chair conformation and its N atom is protonated; the N—H bond is in an axial orientation. The ring bearing the hy­droxy group exhibits a half-chair conformation. The hy­droxy group as well as the adjacent methyl­ene group are disordered over two sets of sites in a 0.823 (5):0.177 (5) ratio. In the crystal, O—H⋯N, O—H⋯O, N—H⋯O and N—H⋯N hydrogen bonds connect the components into a three-dimensional network.