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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-4051089 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT choihongdae 22fluorophenyl5iodo7methyl3methylsulfinyl1benzofuran AT leeuk 22fluorophenyl5iodo7methyl3methylsulfinyl1benzofuran |