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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
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author Ge, Jingshui
Luo, Yang-Hui
author_facet Ge, Jingshui
Luo, Yang-Hui
author_sort Ge, Jingshui
collection PubMed
description 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.
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spelling pubmed-34703062012-11-02 Paliperidonium nitrate Ge, Jingshui Luo, Yang-Hui Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2012-09-15 /pmc/articles/PMC3470306/ /pubmed/23125719 http://dx.doi.org/10.1107/S160053681203841X Text en © Ge and Luo 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Ge, Jingshui
Luo, Yang-Hui
Paliperidonium nitrate
title Paliperidonium nitrate
title_full Paliperidonium nitrate
title_fullStr Paliperidonium nitrate
title_full_unstemmed Paliperidonium nitrate
title_short Paliperidonium nitrate
title_sort paliperidonium nitrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470306/
https://www.ncbi.nlm.nih.gov/pubmed/23125719
http://dx.doi.org/10.1107/S160053681203841X
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