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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...

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Autores principales: Yıldırım, Sema Öztürk, Akkurt, Mehmet, Ershova, Anastasia A., Grigoriev, Mikhail S., Rocha, Bruno G.M., Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
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.
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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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