{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["66(Pt 5)"],"submitter":["Choi HD"],"pubmed_abstract":["In the title compound, C(16)H(12)FIO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 4.48 (5)°. In the crystal structure, pairs of I⋯O halogen bonds [I⋯O = 3.123 (1) Å] link the mol-ecules into centrosymmetric dimers. These dimers are further linked via aromatic π-π inter-actions between the benzene and 4-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.620 (3) Å]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1043"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979084"],"repository":["biostudies-literature"],"pubmed_title":["3-Ethyl-sulfinyl-2-(4-fluoro-phen-yl)-5-iodo-1-benzofuran."],"pmcid":["PMC2979084"],"pubmed_authors":["Son BW","Choi HD","Seo PJ","Lee U"],"additional_accession":[]},"is_claimable":false,"name":"3-Ethyl-sulfinyl-2-(4-fluoro-phen-yl)-5-iodo-1-benzofuran.","description":"In the title compound, C(16)H(12)FIO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 4.48 (5)°. In the crystal structure, pairs of I⋯O halogen bonds [I⋯O = 3.123 (1) Å] link the mol-ecules into centrosymmetric dimers. These dimers are further linked via aromatic π-π inter-actions between the benzene and 4-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.620 (3) Å].","dates":{"release":"2010-01-01T00:00:00Z","publication":"2010 Apr","modification":"2025-04-04T14:42:20.191Z","creation":"2019-03-27T00:00:22Z"},"accession":"S-EPMC2979084","cross_references":{"pubmed":["21579104"],"doi":["10.1107/S1600536810012717"]}}