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Crystal structure and Hirshfeld surface analysis of (2(2) RS,2(3) SR,2(5) RS,2(6) SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one
The title compound, C(20)H(21)F(3)N(2)O(4), features a main twelve-membered difuryl ring with which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5)°. The dihedral angle between the furan rings is 42.55 (7)°. The six-membered nitrogen heterocycle has a twist-boat conformation. In the...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088306/ https://www.ncbi.nlm.nih.gov/pubmed/37057003 http://dx.doi.org/10.1107/S2056989023001986 |
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author | Yıldırım, Sema Öztürk Akkurt, Mehmet Ershova, Anastasia A. Grigoriev, Mikhail S. Rocha, Bruno G.M. Bhattarai, Ajaya |
author_facet | Yıldırım, Sema Öztürk Akkurt, Mehmet Ershova, Anastasia A. Grigoriev, Mikhail S. Rocha, Bruno G.M. Bhattarai, Ajaya |
author_sort | Yıldırım, Sema Öztürk |
collection | PubMed |
description | The title compound, C(20)H(21)F(3)N(2)O(4), features a main twelve-membered difuryl ring with which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5)°. The dihedral angle between the furan rings is 42.55 (7)°. The six-membered nitrogen heterocycle has a twist-boat conformation. In the crystal, pairs of molecules are connected by intermolecular C—H⋯O interactions, generating an R (2) (2)(14) ring motif. These pairs of molecules form zigzag chains along the a-axis direction by means of C—H⋯F interactions. Furthermore, C—H⋯π and C–F⋯π interactions link the molecules into chains along the b-axis direction, forming sheets parallel to the (001) plane. These sheets are also connected by van der Waals interactions. |
format | Online Article Text |
id | pubmed-10088306 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-100883062023-04-12 Crystal structure and Hirshfeld surface analysis of (2(2) RS,2(3) SR,2(5) RS,2(6) SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one Yıldırım, Sema Öztürk Akkurt, Mehmet Ershova, Anastasia A. Grigoriev, Mikhail S. Rocha, Bruno G.M. Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(20)H(21)F(3)N(2)O(4), features a main twelve-membered difuryl ring with which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5)°. The dihedral angle between the furan rings is 42.55 (7)°. The six-membered nitrogen heterocycle has a twist-boat conformation. In the crystal, pairs of molecules are connected by intermolecular C—H⋯O interactions, generating an R (2) (2)(14) ring motif. These pairs of molecules form zigzag chains along the a-axis direction by means of C—H⋯F interactions. Furthermore, C—H⋯π and C–F⋯π interactions link the molecules into chains along the b-axis direction, forming sheets parallel to the (001) plane. These sheets are also connected by van der Waals interactions. International Union of Crystallography 2023-03-10 /pmc/articles/PMC10088306/ /pubmed/37057003 http://dx.doi.org/10.1107/S2056989023001986 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 Ershova, Anastasia A. Grigoriev, Mikhail S. Rocha, Bruno G.M. Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (2(2) RS,2(3) SR,2(5) RS,2(6) SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one |
title | Crystal structure and Hirshfeld surface analysis of (2(2)
RS,2(3)
SR,2(5)
RS,2(6)
SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one |
title_full | Crystal structure and Hirshfeld surface analysis of (2(2)
RS,2(3)
SR,2(5)
RS,2(6)
SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (2(2)
RS,2(3)
SR,2(5)
RS,2(6)
SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (2(2)
RS,2(3)
SR,2(5)
RS,2(6)
SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one |
title_short | Crystal structure and Hirshfeld surface analysis of (2(2)
RS,2(3)
SR,2(5)
RS,2(6)
SR)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one |
title_sort | crystal structure and hirshfeld surface analysis of (2(2)
rs,2(3)
sr,2(5)
rs,2(6)
sr)-2(3),2(5),5-trimethyl-2(1)-(2,2,2-trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-2(4)-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088306/ https://www.ncbi.nlm.nih.gov/pubmed/37057003 http://dx.doi.org/10.1107/S2056989023001986 |
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