Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate

In the title mol­ecule, C(21)H(20)N(2)O(3)S, the styryl and ester substituents are displaced to opposite sides of the plane of the pyridine ring. In the crystal, C—H⋯O hydrogen bonds form chains extending parallel to the a-axis direction, which pack with partial inter­calation of the styryl and este...

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Autores principales: Al-Waleedy, Safiyyah A. H., Mohamed, Shaaban K., Mague, Joel T., Akkurt, Mehmet, Abbady, Mohamed S., Bakhite, Etify A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8382064/
https://www.ncbi.nlm.nih.gov/pubmed/34513020
http://dx.doi.org/10.1107/S2056989021005600
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author Al-Waleedy, Safiyyah A. H.
Mohamed, Shaaban K.
Mague, Joel T.
Akkurt, Mehmet
Abbady, Mohamed S.
Bakhite, Etify A.
author_facet Al-Waleedy, Safiyyah A. H.
Mohamed, Shaaban K.
Mague, Joel T.
Akkurt, Mehmet
Abbady, Mohamed S.
Bakhite, Etify A.
author_sort Al-Waleedy, Safiyyah A. H.
collection PubMed
description In the title mol­ecule, C(21)H(20)N(2)O(3)S, the styryl and ester substituents are displaced to opposite sides of the plane of the pyridine ring. In the crystal, C—H⋯O hydrogen bonds form chains extending parallel to the a-axis direction, which pack with partial inter­calation of the styryl and ester substituents. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (43.6%), C⋯H/H⋯C (15.6%), O⋯H/H⋯O (14.9%) and N⋯H/H⋯N (11.2%) contacts.
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spelling pubmed-83820642021-09-09 Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate Al-Waleedy, Safiyyah A. H. Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Abbady, Mohamed S. Bakhite, Etify A. Acta Crystallogr E Crystallogr Commun Research Communications In the title mol­ecule, C(21)H(20)N(2)O(3)S, the styryl and ester substituents are displaced to opposite sides of the plane of the pyridine ring. In the crystal, C—H⋯O hydrogen bonds form chains extending parallel to the a-axis direction, which pack with partial inter­calation of the styryl and ester substituents. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (43.6%), C⋯H/H⋯C (15.6%), O⋯H/H⋯O (14.9%) and N⋯H/H⋯N (11.2%) contacts. International Union of Crystallography 2021-06-25 /pmc/articles/PMC8382064/ /pubmed/34513020 http://dx.doi.org/10.1107/S2056989021005600 Text en © Al-Waleedy et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Al-Waleedy, Safiyyah A. H.
Mohamed, Shaaban K.
Mague, Joel T.
Akkurt, Mehmet
Abbady, Mohamed S.
Bakhite, Etify A.
Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate
title Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate
title_full Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate
title_fullStr Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate
title_short Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate
title_sort crystal structure and hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(e)-2-phenyl­ethen­yl]pyridin-2-yl}sulfan­yl)acetate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8382064/
https://www.ncbi.nlm.nih.gov/pubmed/34513020
http://dx.doi.org/10.1107/S2056989021005600
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