<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>66(Pt 6)</volume><submitter>Li H</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1289-90</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979485</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one.</pubmed_title><pmcid>PMC2979485</pmcid><pubmed_authors>Li H</pubmed_authors><pubmed_authors>Rathore RS</pubmed_authors><pubmed_authors>Yathirajan HS</pubmed_authors><pubmed_authors>Prakash Kamath K</pubmed_authors><pubmed_authors>Narayana B</pubmed_authors></additional><is_claimable>false</is_claimable><name>(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one.</name><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.</description><dates><release>2010-01-01T00:00:00Z</release><publication>2010 May</publication><modification>2025-04-22T11:13:21.816Z</modification><creation>2019-03-27T00:00:55Z</creation></dates><accession>S-EPMC2979485</accession><cross_references><pubmed>21579387</pubmed><doi>10.1107/S1600536810015552</doi></cross_references></HashMap>