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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...

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Autores principales: Rajesh, K., Vijayakumar, V., Sarveswari, S., Narasimhamurthy, T., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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%.
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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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