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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3470306 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT gejingshui paliperidoniumnitrate AT luoyanghui paliperidoniumnitrate |