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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 DH, Ramkumar V, Parthiban P - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: Acta Cryst.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.

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Affiliation: Department of Biomedicinal Chemistry, Inje University, Gimhae, Gyeongnam 621 749, Republic of Korea.

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.

No MeSH data available.


View of the title molecule showing the atomic numbering and 30% probability displacement ellipsoids. For clarity, only major component of the disordered group is shown.
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Fap1: View of the title molecule showing the atomic numbering and 30% probability displacement ellipsoids. For clarity, only major component of the disordered group is shown.


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

Park DH, Ramkumar V, Parthiban P - Acta Crystallogr Sect E Struct Rep Online (2014)

View of the title molecule showing the atomic numbering and 30% probability displacement ellipsoids. For clarity, only major component of the disordered group is shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257353&req=5

Fap1: View of the title molecule showing the atomic numbering and 30% probability displacement ellipsoids. For clarity, only major component of the disordered group is shown.
Bottom Line: Acta Cryst.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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Biomedicinal Chemistry, Inje University, Gimhae, Gyeongnam 621 749, Republic of Korea.

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.

No MeSH data available.