{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["66(Pt 6)"],"submitter":["Li H"],"pubmed_abstract":["The mol-ecule of the title compound, C(16)H(11)BrO(3), is essentially planar with a maximum deviation of 0.178 (4) Å and the configuration of the keto group with respect to the olefinic double bond is typically s-cis. In the crystal structure, inter-molecular Br⋯O inter-actions [3.187 (3)Å] give rise to chains parallel to the b axis. Adjacent chains are further linked along the a axis by C-H⋯π inter-actions. The crystal studied was a racemic twin with a 0.595 (13):0.405 (13) ratio."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1289-90"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979485"],"repository":["biostudies-literature"],"pubmed_title":["(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one."],"pmcid":["PMC2979485"],"pubmed_authors":["Li H","Rathore RS","Yathirajan HS","Prakash Kamath K","Narayana B"],"additional_accession":[]},"is_claimable":false,"name":"(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one.","description":"The mol-ecule of the title compound, C(16)H(11)BrO(3), is essentially planar with a maximum deviation of 0.178 (4) Å and the configuration of the keto group with respect to the olefinic double bond is typically s-cis. In the crystal structure, inter-molecular Br⋯O inter-actions [3.187 (3)Å] give rise to chains parallel to the b axis. Adjacent chains are further linked along the a axis by C-H⋯π inter-actions. The crystal studied was a racemic twin with a 0.595 (13):0.405 (13) ratio.","dates":{"release":"2010-01-01T00:00:00Z","publication":"2010 May","modification":"2025-04-22T11:13:21.816Z","creation":"2019-03-27T00:00:55Z"},"accession":"S-EPMC2979485","cross_references":{"pubmed":["21579387"],"doi":["10.1107/S1600536810015552"]}}