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Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate
The title compound, C(26)H(28)N(2)O(9)·1.5H(2)O, the product of an acid-catalysed Wagner–Meerwein skeletal rearrangement, crystallizes as a sesquihydrate with the O atom of one of the two independent water molecules occupying a special position on a twofold axis. The organic molecule comprises a f...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980137/ https://www.ncbi.nlm.nih.gov/pubmed/21580091 http://dx.doi.org/10.1107/S160053680905363X |
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author | Gurbanov, Atash V. Nikitina, Eugeniya V. Zaytsev, Vladimir P. Zubkov, Fedor I. Khrustalev, Victor N. |
author_facet | Gurbanov, Atash V. Nikitina, Eugeniya V. Zaytsev, Vladimir P. Zubkov, Fedor I. Khrustalev, Victor N. |
author_sort | Gurbanov, Atash V. |
collection | PubMed |
description | The title compound, C(26)H(28)N(2)O(9)·1.5H(2)O, the product of an acid-catalysed Wagner–Meerwein skeletal rearrangement, crystallizes as a sesquihydrate with the O atom of one of the two independent water molecules occupying a special position on a twofold axis. The organic molecule comprises a fused pentacyclic system containing two five-membered rings (cyclopentane and tetrahydrofuran) and three six-membered rings (piperidinone, tetrahydropyridine and benzene). The five-membered rings have the usual envelope conformations, and the central six-membered piperidinone and tetrahydropyridine rings adopt boat and sofa conformations, respectively. In the crystal, there are three independent O—H⋯O hydrogen bonds, which link the organic molecules and water molecules into complex two-tier layers parallel to (001). The layers are further linked into a three-dimensional framework by attractive intermolecular carbonyl–carbonyl interactions. |
format | Text |
id | pubmed-2980137 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29801372010-12-30 Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate Gurbanov, Atash V. Nikitina, Eugeniya V. Zaytsev, Vladimir P. Zubkov, Fedor I. Khrustalev, Victor N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(26)H(28)N(2)O(9)·1.5H(2)O, the product of an acid-catalysed Wagner–Meerwein skeletal rearrangement, crystallizes as a sesquihydrate with the O atom of one of the two independent water molecules occupying a special position on a twofold axis. The organic molecule comprises a fused pentacyclic system containing two five-membered rings (cyclopentane and tetrahydrofuran) and three six-membered rings (piperidinone, tetrahydropyridine and benzene). The five-membered rings have the usual envelope conformations, and the central six-membered piperidinone and tetrahydropyridine rings adopt boat and sofa conformations, respectively. In the crystal, there are three independent O—H⋯O hydrogen bonds, which link the organic molecules and water molecules into complex two-tier layers parallel to (001). The layers are further linked into a three-dimensional framework by attractive intermolecular carbonyl–carbonyl interactions. International Union of Crystallography 2009-12-19 /pmc/articles/PMC2980137/ /pubmed/21580091 http://dx.doi.org/10.1107/S160053680905363X Text en © Gurbanov et al. 2010 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 Gurbanov, Atash V. Nikitina, Eugeniya V. Zaytsev, Vladimir P. Zubkov, Fedor I. Khrustalev, Victor N. Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate |
title | Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate |
title_full | Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate |
title_fullStr | Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate |
title_full_unstemmed | Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate |
title_short | Methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate |
title_sort | methyl 7,8-diacetoxy-11-oxo-5-(2-oxopyrrolidin-1-yl)-7,9-epoxycyclopenta[4,5]pyrido[1,2-a]quinoline-10-carboxylate sesquihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980137/ https://www.ncbi.nlm.nih.gov/pubmed/21580091 http://dx.doi.org/10.1107/S160053680905363X |
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