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1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one
Two independent molecules comprise the asymmetric unit in the title compound, C(18)H(20)N(2)O(4). One of the molecules exhibits disorder in one of its 4-piperidone rings, which is disposed over two orientations [site occupancy of the major component = 0.651 (5)]. The first independent molecule an...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007266/ https://www.ncbi.nlm.nih.gov/pubmed/21588303 http://dx.doi.org/10.1107/S1600536810026681 |
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author | Rajesh, K. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, Edward R. T. |
author_facet | Rajesh, K. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, Edward R. T. |
author_sort | Rajesh, K. |
collection | PubMed |
description | Two independent molecules comprise the asymmetric unit in the title compound, C(18)H(20)N(2)O(4). One of the molecules exhibits disorder in one of its 4-piperidone rings, which is disposed over two orientations [site occupancy of the major component = 0.651 (5)]. The first independent molecule and the minor component of the second disordered molecule are virtually superimposable. The central four C atoms in the major component of the disordered molecule have an opposite orientation. All the 4-piperidone rings have a chair conformation. The carbonyl groups in each molecule have approximate anti conformations [O=C⋯C=O = 146.2 (2) and −159.9 (2)°]. The 4-piperidone rings lie to opposite sides of the central benzene ring in both molecules. In the crystal, molecules are linked by C—H⋯O interactions. The crystal studied was found to be a non-merohedral twin (twin law −1 0 0, 0 1 0, 0 − 1/2 − 1), the fractional contribution of the minor component being approximately 11%. |
format | Text |
id | pubmed-3007266 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30072662010-12-30 1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one Rajesh, K. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two independent molecules comprise the asymmetric unit in the title compound, C(18)H(20)N(2)O(4). One of the molecules exhibits disorder in one of its 4-piperidone rings, which is disposed over two orientations [site occupancy of the major component = 0.651 (5)]. The first independent molecule and the minor component of the second disordered molecule are virtually superimposable. The central four C atoms in the major component of the disordered molecule have an opposite orientation. All the 4-piperidone rings have a chair conformation. The carbonyl groups in each molecule have approximate anti conformations [O=C⋯C=O = 146.2 (2) and −159.9 (2)°]. The 4-piperidone rings lie to opposite sides of the central benzene ring in both molecules. In the crystal, molecules are linked by C—H⋯O interactions. The crystal studied was found to be a non-merohedral twin (twin law −1 0 0, 0 1 0, 0 − 1/2 − 1), the fractional contribution of the minor component being approximately 11%. International Union of Crystallography 2010-07-10 /pmc/articles/PMC3007266/ /pubmed/21588303 http://dx.doi.org/10.1107/S1600536810026681 Text en © Rajesh 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 Rajesh, K. Vijayakumar, V. Sarveswari, S. Narasimhamurthy, T. Tiekink, Edward R. T. 1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one |
title | 1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one |
title_full | 1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one |
title_fullStr | 1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one |
title_full_unstemmed | 1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one |
title_short | 1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one |
title_sort | 1-{3-[(4-oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007266/ https://www.ncbi.nlm.nih.gov/pubmed/21588303 http://dx.doi.org/10.1107/S1600536810026681 |
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