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(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.

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].

SUBMITTER: Narayanan P 

PROVIDER: S-EPMC3588835 | biostudies-other | 2012 Dec

REPOSITORIES: biostudies-other

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(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.

Narayanan Ponmudisettu P   Maheswari Shanmugavel Uma SU   Sethusankar Krishnan K  

Acta crystallographica. Section E, Structure reports online 20121107 Pt 12

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  ...[more]

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