{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 5)"],"submitter":["Choi HD"],"pubmed_abstract":["In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å]. The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492 (2) Å]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1298"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3344444"],"repository":["biostudies-literature"],"pubmed_title":["5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran."],"pmcid":["PMC3344444"],"pubmed_authors":["Choi HD","Seo PJ","Lee U"],"additional_accession":[]},"is_claimable":false,"name":"5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.","description":"In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å]. The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492 (2) Å].","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 May","modification":"2025-04-04T14:12:38.226Z","creation":"2019-03-27T00:53:05Z"},"accession":"S-EPMC3344444","cross_references":{"pubmed":["22590206"],"doi":["10.1107/S160053681201389X"]}}