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Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one

In the title compound, C(21)H(22)ClNO(3), the penta­diene unit is nearly planar [maximum deviation = 0.023 (1) Å], but the carbonyl O atom deviates significantly [by 0.304 (1) Å] from its mean plane, which is twisted with respect to the phenyl and chloro­benzene rings by 71.34 (13) and 46.40 (13)°,...

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Autores principales: Golovanov, Alexander A., Vologzhanina, Anna V., Odin, Ivan S., Tret’yakova, Tat’yana P., Naumov, Sergey V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645000/
https://www.ncbi.nlm.nih.gov/pubmed/26594571
http://dx.doi.org/10.1107/S2056989015019568
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author Golovanov, Alexander A.
Vologzhanina, Anna V.
Odin, Ivan S.
Tret’yakova, Tat’yana P.
Naumov, Sergey V.
author_facet Golovanov, Alexander A.
Vologzhanina, Anna V.
Odin, Ivan S.
Tret’yakova, Tat’yana P.
Naumov, Sergey V.
author_sort Golovanov, Alexander A.
collection PubMed
description In the title compound, C(21)H(22)ClNO(3), the penta­diene unit is nearly planar [maximum deviation = 0.023 (1) Å], but the carbonyl O atom deviates significantly [by 0.304 (1) Å] from its mean plane, which is twisted with respect to the phenyl and chloro­benzene rings by 71.34 (13) and 46.40 (13)°, respectively. In the crystal, inversion-related molecules are linked by two pairs of O—H⋯O hydrogen bonds, forming chains propagating along [01-1], enclosing R (2) (2)(16) and R (2) (2)(22) ring motifs. The chains are linked via C—H⋯O hydrogen bonds and C—H⋯π inter­actions into a three-dimensional supra­molecular architecture.
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spelling pubmed-46450002015-11-20 Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one Golovanov, Alexander A. Vologzhanina, Anna V. Odin, Ivan S. Tret’yakova, Tat’yana P. Naumov, Sergey V. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(21)H(22)ClNO(3), the penta­diene unit is nearly planar [maximum deviation = 0.023 (1) Å], but the carbonyl O atom deviates significantly [by 0.304 (1) Å] from its mean plane, which is twisted with respect to the phenyl and chloro­benzene rings by 71.34 (13) and 46.40 (13)°, respectively. In the crystal, inversion-related molecules are linked by two pairs of O—H⋯O hydrogen bonds, forming chains propagating along [01-1], enclosing R (2) (2)(16) and R (2) (2)(22) ring motifs. The chains are linked via C—H⋯O hydrogen bonds and C—H⋯π inter­actions into a three-dimensional supra­molecular architecture. International Union of Crystallography 2015-10-24 /pmc/articles/PMC4645000/ /pubmed/26594571 http://dx.doi.org/10.1107/S2056989015019568 Text en © Golovanov et al. 2015 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 Data Reports
Golovanov, Alexander A.
Vologzhanina, Anna V.
Odin, Ivan S.
Tret’yakova, Tat’yana P.
Naumov, Sergey V.
Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one
title Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one
title_full Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one
title_fullStr Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one
title_full_unstemmed Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one
title_short Crystal structure of (2E,4E)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one
title_sort crystal structure of (2e,4e)-5-[bis­(2-hy­droxy­eth­yl)amino]-1-(4-chloro­phen­yl)-5-phenyl­penta-2,4-dien-1-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645000/
https://www.ncbi.nlm.nih.gov/pubmed/26594571
http://dx.doi.org/10.1107/S2056989015019568
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