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Crystal structure of 2,4-bis-(2-chloro-phen-yl)-7-tert-pent-yl-3-aza-bicyclo[3.3.1]nonan-9-one.

ABSTRACT: The title compound, C25H29Cl2NO, which is a chloro analog of 2,4-bis-(2-bromo-phen-yl)-7-(tert-pent-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one [Park, Ramkumar & Parthiban (2012). Acta Cryst. E68, o2946], exists in a twin-chair conformation with an equatorial orientation of the 2-chloro-phenyl groups. The tert-pentyl group on the cyclo-hexa-none adopts an exocyclic equatorial position and is disordered between two orientations in a ratio 0.520?(8):0.480?(8). The crystal packing shows no directional contacts beyond van der Waals contacts.

SUBMITTER: Park DH

PROVIDER: S-EPMC4257353 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2,4-bis-(2-chloro-phen-yl)-7-tert-pent-yl-3-aza-bicyclo[3.3.1]nonan-9-one.

Park Dong Ho DH Ramkumar V V Parthiban P P

Acta crystallographica. Section E, Structure reports online 20141015 Pt 11

The title compound, C25H29Cl2NO, which is a chloro analog of 2,4-bis-(2-bromo-phen-yl)-7-(tert-pent-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one [Park, Ramkumar & Parthiban (2012). Acta Cryst. E68, o2946], exists in a twin-chair conformation with an equatorial orientation of the 2-chloro-phenyl groups. The tert-pentyl group on the cyclo-hexa-none adopts an exocyclic equatorial position and is disordered between two orientations in a ratio 0.520 (8):0.480 (8). The crystal packing shows no directional con ...[more]

PMID: 25484804

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