Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

In the title compound, C(23)H(25)F(4)NO(3), the 1,4-di­hydro­pyridine ring adopts a distorted boat conformation, while the cyclo­hexene ring is almost showing a half-chair conformation. In the crystal, inter­molecular N—H⋯O hydrogen bonds connect the mol­ecules into chains with graph-set motif C(6)...

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Autores principales: Yıldırım, Sema Öztürk, Akkurt, Mehmet, Çetin, Gökalp, Şimşek, Rahime, Butcher, Ray J., Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9993909/
https://www.ncbi.nlm.nih.gov/pubmed/36909987
http://dx.doi.org/10.1107/S205698902300141X
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author Yıldırım, Sema Öztürk
Akkurt, Mehmet
Çetin, Gökalp
Şimşek, Rahime
Butcher, Ray J.
Bhattarai, Ajaya
author_facet Yıldırım, Sema Öztürk
Akkurt, Mehmet
Çetin, Gökalp
Şimşek, Rahime
Butcher, Ray J.
Bhattarai, Ajaya
author_sort Yıldırım, Sema Öztürk
collection PubMed
description In the title compound, C(23)H(25)F(4)NO(3), the 1,4-di­hydro­pyridine ring adopts a distorted boat conformation, while the cyclo­hexene ring is almost showing a half-chair conformation. In the crystal, inter­molecular N—H⋯O hydrogen bonds connect the mol­ecules into chains with graph-set motif C(6) parallel to the a-axis. These chains are linked together by C—H⋯O and C—H⋯F inter­actions, forming a three-dimensional network. In addition, C—H⋯π inter­actions link the mol­ecules into layers parallel to the (100) plane. A Hirshfeld surface analysis was performed to further investigate the inter­molecular inter­actions.
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spelling pubmed-99939092023-03-09 Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate Yıldırım, Sema Öztürk Akkurt, Mehmet Çetin, Gökalp Şimşek, Rahime Butcher, Ray J. Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(23)H(25)F(4)NO(3), the 1,4-di­hydro­pyridine ring adopts a distorted boat conformation, while the cyclo­hexene ring is almost showing a half-chair conformation. In the crystal, inter­molecular N—H⋯O hydrogen bonds connect the mol­ecules into chains with graph-set motif C(6) parallel to the a-axis. These chains are linked together by C—H⋯O and C—H⋯F inter­actions, forming a three-dimensional network. In addition, C—H⋯π inter­actions link the mol­ecules into layers parallel to the (100) plane. A Hirshfeld surface analysis was performed to further investigate the inter­molecular inter­actions. International Union of Crystallography 2023-02-21 /pmc/articles/PMC9993909/ /pubmed/36909987 http://dx.doi.org/10.1107/S205698902300141X Text en © Yıldırım et al. 2023 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
Yıldırım, Sema Öztürk
Akkurt, Mehmet
Çetin, Gökalp
Şimşek, Rahime
Butcher, Ray J.
Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_fullStr Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_short Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_sort crystal structure and hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9993909/
https://www.ncbi.nlm.nih.gov/pubmed/36909987
http://dx.doi.org/10.1107/S205698902300141X
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