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Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide

The title compounds, C(22)H(19)F(4)NO(4), (I), and C(25)H(22)F(3)NO(5), (II), each contain a central nearly planar di­hydro­furan­one ring. The r.m.s. deviation from planarity of these rings is 0.015 Å in (I) and 0.027 Å in (II). The mol­ecules are T-shaped, with the major conformational difference...

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Autores principales: Roberts, Sue A., Martinez-Ariza, Guillermo, Hulme, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384610/
https://www.ncbi.nlm.nih.gov/pubmed/25878818
http://dx.doi.org/10.1107/S2056989015000936
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author Roberts, Sue A.
Martinez-Ariza, Guillermo
Hulme, Christopher
author_facet Roberts, Sue A.
Martinez-Ariza, Guillermo
Hulme, Christopher
author_sort Roberts, Sue A.
collection PubMed
description The title compounds, C(22)H(19)F(4)NO(4), (I), and C(25)H(22)F(3)NO(5), (II), each contain a central nearly planar di­hydro­furan­one ring. The r.m.s. deviation from planarity of these rings is 0.015 Å in (I) and 0.027 Å in (II). The mol­ecules are T-shaped, with the major conformational difference being the O—C—C—O torsion angle [−178.9 (1) in (I) and 37.7 (2)° in (II)]. In the crystal of (I), mol­ecules are linked by N—H⋯O hydrogen bonds, forming chains along [001] while in (II) mol­ecules are linked by N—H⋯O hydrogen bonds, forming chains along [010]. In (II), the tri­fluoro­methyl substituent is disordered over two sets of sites, with refined occupancies of 0.751 (3) and 0.249 (3).
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spelling pubmed-43846102015-04-15 Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide Roberts, Sue A. Martinez-Ariza, Guillermo Hulme, Christopher Acta Crystallogr E Crystallogr Commun Research Communications The title compounds, C(22)H(19)F(4)NO(4), (I), and C(25)H(22)F(3)NO(5), (II), each contain a central nearly planar di­hydro­furan­one ring. The r.m.s. deviation from planarity of these rings is 0.015 Å in (I) and 0.027 Å in (II). The mol­ecules are T-shaped, with the major conformational difference being the O—C—C—O torsion angle [−178.9 (1) in (I) and 37.7 (2)° in (II)]. In the crystal of (I), mol­ecules are linked by N—H⋯O hydrogen bonds, forming chains along [001] while in (II) mol­ecules are linked by N—H⋯O hydrogen bonds, forming chains along [010]. In (II), the tri­fluoro­methyl substituent is disordered over two sets of sites, with refined occupancies of 0.751 (3) and 0.249 (3). International Union of Crystallography 2015-01-24 /pmc/articles/PMC4384610/ /pubmed/25878818 http://dx.doi.org/10.1107/S2056989015000936 Text en © Roberts 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 (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Roberts, Sue A.
Martinez-Ariza, Guillermo
Hulme, Christopher
Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
title Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
title_full Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
title_fullStr Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
title_full_unstemmed Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
title_short Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
title_sort crystal structures of n-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2h-1,3-benzodioxol-5-yl)-n-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384610/
https://www.ncbi.nlm.nih.gov/pubmed/25878818
http://dx.doi.org/10.1107/S2056989015000936
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