{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 10)"],"submitter":["Choi HD"],"pubmed_abstract":["The title compound, C(22)H(15)BrO(3)S, crystallizes with four mol-ecules in the asymmetric unit. The 4-bromo-phenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four mol-ecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methyl-ene-dioxy-phenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four mol-ecules. The crystal structure is stabilized by weak nonclassical inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits inter-molecular aromatic π-π inter-actions between the benzene and furan rings and between the 4-bromo-phenyl and 3,4-methyl-enedioxy-phenyl rings from mol-ecules of the same type; the centroid-centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.7"],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2530"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2970320"],"repository":["biostudies-literature"],"pubmed_title":["5-(4-Bromo-phen-yl)-2-(3,4-methyl-ene-dioxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran."],"pmcid":["PMC2970320"],"pubmed_authors":["Son BW","Choi HD","Seo PJ","Lee U"],"additional_accession":[]},"is_claimable":false,"name":"5-(4-Bromo-phen-yl)-2-(3,4-methyl-ene-dioxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran.","description":"The title compound, C(22)H(15)BrO(3)S, crystallizes with four mol-ecules in the asymmetric unit. The 4-bromo-phenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four mol-ecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methyl-ene-dioxy-phenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four mol-ecules. The crystal structure is stabilized by weak nonclassical inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits inter-molecular aromatic π-π inter-actions between the benzene and furan rings and between the 4-bromo-phenyl and 3,4-methyl-enedioxy-phenyl rings from mol-ecules of the same type; the centroid-centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.7","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Sep","modification":"2025-04-19T21:13:09.57Z","creation":"2019-03-27T00:00:54Z"},"accession":"S-EPMC2970320","cross_references":{"pubmed":["21577975"],"doi":["10.1107/S1600536809038148"]}}