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Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan

In the title compound, C(18)H(17)FO(2)S, the dihedral angle between the planes of the benzo­furan ring system (r.m.s. deviation = 0.004 Å) and the 4-fluoro­phenyl ring is 86.38 (6)°. The terminal C atom of the ethyl substituent is displaced by 1.444 (3) Å from the benzo­furan ring system to the same...

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Autores principales: Choi, Hong Dae, Lee, Uk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186098/
https://www.ncbi.nlm.nih.gov/pubmed/25309224
http://dx.doi.org/10.1107/S1600536814019023
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author Choi, Hong Dae
Lee, Uk
author_facet Choi, Hong Dae
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description In the title compound, C(18)H(17)FO(2)S, the dihedral angle between the planes of the benzo­furan ring system (r.m.s. deviation = 0.004 Å) and the 4-fluoro­phenyl ring is 86.38 (6)°. The terminal C atom of the ethyl substituent is displaced by 1.444 (3) Å from the benzo­furan ring system to the same side of the mol­ecule as the 4-fluoro­phenyl ring. In the crystal, mol­ecules are linked via pairs of C—H⋯π inter­actions into inversion-related dimers. These dimers are further linked by π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.715 (3) Å] and between the furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.598 (3) Å]. The mol­ecules are stacked along the a-axis direction. In the sulfinyl group, the S and O atoms are disordered over two sets of sites, with site-occupancy factors of 0.797 (3) and 0.213 (3).
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spelling pubmed-41860982014-10-12 Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan Choi, Hong Dae Lee, Uk Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(18)H(17)FO(2)S, the dihedral angle between the planes of the benzo­furan ring system (r.m.s. deviation = 0.004 Å) and the 4-fluoro­phenyl ring is 86.38 (6)°. The terminal C atom of the ethyl substituent is displaced by 1.444 (3) Å from the benzo­furan ring system to the same side of the mol­ecule as the 4-fluoro­phenyl ring. In the crystal, mol­ecules are linked via pairs of C—H⋯π inter­actions into inversion-related dimers. These dimers are further linked by π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.715 (3) Å] and between the furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.598 (3) Å]. The mol­ecules are stacked along the a-axis direction. In the sulfinyl group, the S and O atoms are disordered over two sets of sites, with site-occupancy factors of 0.797 (3) and 0.213 (3). International Union of Crystallography 2014-08-30 /pmc/articles/PMC4186098/ /pubmed/25309224 http://dx.doi.org/10.1107/S1600536814019023 Text en © Choi and Lee 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Choi, Hong Dae
Lee, Uk
Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan
title Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan
title_full Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan
title_fullStr Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan
title_full_unstemmed Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan
title_short Crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan
title_sort crystal structure of 2-ethyl-3-(4-fluoro­phenyl­sulfin­yl)-5,7-dimethyl-1-benzo­furan
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186098/
https://www.ncbi.nlm.nih.gov/pubmed/25309224
http://dx.doi.org/10.1107/S1600536814019023
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