{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 12)"],"submitter":["Narayanan P"],"pubmed_abstract":["The title compound, C27H18Cl2N2O2, represents a racemic mixture of the corresponding R,R and S,S diastereomers. The isoxazoline ring adopts an envelope conformation with the spiro C atom deviating by 0.093 (2) Å from the rest of the ring. The six-membered keto-substituted carbocycle has a sofa conformation with the methyl-ene C atom adjacent to the spiro center deviating by 0.289 (2) Å from the mean plane of the remaining atoms. In the crystal, mol-ecules are linked via C-H⋯Cl inter-actions and C-Cl⋯O halogen bonds [2.958 (2) Å, 171.39 (7)°], which generate bifurcated R2(1)(6) ring motifs resulting in C2(1)[R2(1)(6)] chains running parallel to [010]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o3289"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3588835"],"repository":["biostudies-literature"],"pubmed_title":["(2RS,5'RS)-3',4'-Bis(4-chloro-phen-yl)-3,4-dihydro-spiro-[acridine-2,5'(4'H)-[1,2]oxazol]-1(2H)-one."],"pmcid":["PMC3588835"],"pubmed_authors":["Narayanan P","Maheswari SU","Sethusankar K"],"additional_accession":[]},"is_claimable":false,"name":"(2RS,5'RS)-3',4'-Bis(4-chloro-phen-yl)-3,4-dihydro-spiro-[acridine-2,5'(4'H)-[1,2]oxazol]-1(2H)-one.","description":"The title compound, C27H18Cl2N2O2, represents a racemic mixture of the corresponding R,R and S,S diastereomers. The isoxazoline ring adopts an envelope conformation with the spiro C atom deviating by 0.093 (2) Å from the rest of the ring. The six-membered keto-substituted carbocycle has a sofa conformation with the methyl-ene C atom adjacent to the spiro center deviating by 0.289 (2) Å from the mean plane of the remaining atoms. In the crystal, mol-ecules are linked via C-H⋯Cl inter-actions and C-Cl⋯O halogen bonds [2.958 (2) Å, 171.39 (7)°], which generate bifurcated R2(1)(6) ring motifs resulting in C2(1)[R2(1)(6)] chains running parallel to [010].","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Dec","modification":"2025-04-21T23:46:22.108Z","creation":"2019-03-27T01:05:39Z"},"accession":"S-EPMC3588835","cross_references":{"pubmed":["23468800"],"doi":["10.1107/S1600536812045084"]}}