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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)°,...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4645000 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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