{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["66(Pt 2)"],"submitter":["Zhang W"],"pubmed_abstract":["In the crystal structure of the title compound, C(22)H(17)BrO(6), the quinone ring makes a dihedral angle of 81.84 (3)° with the benzene ring. The chiral C atoms, viz. the ring C atoms bearing the hydr-oxy and bromo-phenyl substituents, exhibit R and S configurations, respectively. The terminal ethyl group of the -CO(2)CH(2)CH(3) group is disordered over two sets of sites with site-occupancy factors of 0.64 (1) and 0.36 (1). Inter-molecular O-H⋯O inter-actions further stabilize the crystal packing."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o388"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979899"],"repository":["biostudies-literature"],"pubmed_title":["Ethyl (2S,4R)-4-(4-bromo-phen-yl)-2-hydr-oxy-5,10-dioxo-3,4,5,10-tetra-hydro-2H-benzo[g]chromene-2-carboxyl-ate."],"pmcid":["PMC2979899"],"pubmed_authors":["Zhang W","Zhang G","Wang Y","Xu X"],"additional_accession":[]},"is_claimable":false,"name":"Ethyl (2S,4R)-4-(4-bromo-phen-yl)-2-hydr-oxy-5,10-dioxo-3,4,5,10-tetra-hydro-2H-benzo[g]chromene-2-carboxyl-ate.","description":"In the crystal structure of the title compound, C(22)H(17)BrO(6), the quinone ring makes a dihedral angle of 81.84 (3)° with the benzene ring. The chiral C atoms, viz. the ring C atoms bearing the hydr-oxy and bromo-phenyl substituents, exhibit R and S configurations, respectively. The terminal ethyl group of the -CO(2)CH(2)CH(3) group is disordered over two sets of sites with site-occupancy factors of 0.64 (1) and 0.36 (1). Inter-molecular O-H⋯O inter-actions further stabilize the crystal packing.","dates":{"release":"2010-01-01T00:00:00Z","publication":"2010 Jan","modification":"2025-04-26T05:08:12.593Z","creation":"2019-03-27T00:00:56Z"},"accession":"S-EPMC2979899","cross_references":{"pubmed":["21579809"],"doi":["10.1107/S1600536810001315"]}}