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...

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Autores principales: Nesterov, Volodymyr V., Sarkisov, Sergey S., Shulaev, Vladimir, Nesterov, Vladimir N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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