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2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan

In the title compound, C(16)H(12)FIO(2)S, the dihedral angle between the plane of the benzo­furan ring system (r.m.s. deviation = 0.023 Å) and that of the 2-fluoro­phenyl ring is 39.78 (7)°. In the crystal, mol­ecules are linked via pairs of I⋯π contacts [3.812 (2) Å] and a π–π inter­action between...

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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/PMC4051089/
https://www.ncbi.nlm.nih.gov/pubmed/24940242
http://dx.doi.org/10.1107/S1600536814010459
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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(16)H(12)FIO(2)S, the dihedral angle between the plane of the benzo­furan ring system (r.m.s. deviation = 0.023 Å) and that of the 2-fluoro­phenyl ring is 39.78 (7)°. In the crystal, mol­ecules are linked via pairs of I⋯π contacts [3.812 (2) Å] and a π–π inter­action between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.821 (2) Å] into inversion dimers. These dimers are further linked by π–π inter­actions between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.668 (2) Å]. The mol­ecules stack along the a-axis direction. In addition, C—H⋯O hydrogen bonds are observed between inversion-related dimers.
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spelling pubmed-40510892014-06-17 2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan Choi, Hong Dae Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(12)FIO(2)S, the dihedral angle between the plane of the benzo­furan ring system (r.m.s. deviation = 0.023 Å) and that of the 2-fluoro­phenyl ring is 39.78 (7)°. In the crystal, mol­ecules are linked via pairs of I⋯π contacts [3.812 (2) Å] and a π–π inter­action between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.821 (2) Å] into inversion dimers. These dimers are further linked by π–π inter­actions between the furan and benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.668 (2) Å]. The mol­ecules stack along the a-axis direction. In addition, C—H⋯O hydrogen bonds are observed between inversion-related dimers. International Union of Crystallography 2014-05-17 /pmc/articles/PMC4051089/ /pubmed/24940242 http://dx.doi.org/10.1107/S1600536814010459 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 Organic Papers
Choi, Hong Dae
Lee, Uk
2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan
title 2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan
title_full 2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan
title_fullStr 2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan
title_full_unstemmed 2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan
title_short 2-(2-Fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan
title_sort 2-(2-fluoro­phen­yl)-5-iodo-7-methyl-3-methyl­sulfinyl-1-benzo­furan
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051089/
https://www.ncbi.nlm.nih.gov/pubmed/24940242
http://dx.doi.org/10.1107/S1600536814010459
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