1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one
The title compound, C(26)H(21)Cl(2)NO, crystallizes with two symmetry-independent molecules (A and B) in the asymmetric unit. In both molecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviatio...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120573/ https://www.ncbi.nlm.nih.gov/pubmed/21754872 http://dx.doi.org/10.1107/S1600536811018587 |
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author | Nesterov, Volodymyr V. Sarkisov, Sergey S. Shulaev, Vladimir Nesterov, Vladimir N. |
author_facet | Nesterov, Volodymyr V. Sarkisov, Sergey S. Shulaev, Vladimir Nesterov, Vladimir N. |
author_sort | Nesterov, Volodymyr V. |
collection | PubMed |
description | The title compound, C(26)H(21)Cl(2)NO, crystallizes with two symmetry-independent molecules (A and B) in the asymmetric unit. In both molecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in molecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in molecule A, and 26.4 (1) and 19.6 (1)° in molecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in molecules A and B, respectively. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the two independent molecules into dimers. |
format | Online Article Text |
id | pubmed-3120573 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31205732011-07-13 1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one Nesterov, Volodymyr V. Sarkisov, Sergey S. Shulaev, Vladimir Nesterov, Vladimir N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(26)H(21)Cl(2)NO, crystallizes with two symmetry-independent molecules (A and B) in the asymmetric unit. In both molecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in molecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in molecule A, and 26.4 (1) and 19.6 (1)° in molecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in molecules A and B, respectively. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the two independent molecules into dimers. International Union of Crystallography 2011-05-25 /pmc/articles/PMC3120573/ /pubmed/21754872 http://dx.doi.org/10.1107/S1600536811018587 Text en © Nesterov et al. 2011 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 Nesterov, Volodymyr V. Sarkisov, Sergey S. Shulaev, Vladimir Nesterov, Vladimir N. 1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one |
title | 1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one |
title_full | 1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one |
title_fullStr | 1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one |
title_full_unstemmed | 1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one |
title_short | 1-Benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one |
title_sort | 1-benzyl-3,5-bis(4-chlorobenzylidene)piperidin-4-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120573/ https://www.ncbi.nlm.nih.gov/pubmed/21754872 http://dx.doi.org/10.1107/S1600536811018587 |
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