Unknown

Dataset Information

0

2,4-Bis(2-fluoro-phen-yl)-1-methyl-3-aza-bicyclo-[3.3.1]nonan-9-one.

ABSTRACT: The crystal structure of the title compound, C(21)H(21)F(2)NO, shows that the compound exists in a twin-chair conformation with an equatorial orientation of the ortho-fluoro-phenyl groups on either side of the secondary amino group. The title compound is a 1-methyl-ated analog of 2,4-bis-(2-fluoro-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one; the two compound both exhibit the same stereochemistry but the orientation of the ortho-fluoro-phenyl rings differs slightly. In the title compound, the rings are orientated at a dihedral angle of 36.70?(3)° with respect to one another, whereas in the non-methyl analog, the angle is 25.68?(4)°. The crystal structure of the title compound is stabilized by an inter-molecular N-H?? inter-action and a weak C-H?F inter-action.

SUBMITTER: Parthiban P 

PROVIDER: S-EPMC2980085 | biostudies-other | 2009

REPOSITORIES: biostudies-other

Json Xml
altmetric image

Publications

2,4-Bis(2-fluoro-phen-yl)-1-methyl-3-aza-bicyclo-[3.3.1]nonan-9-one.

Parthiban P P   Ramkumar V V   Jeong Yeon Tae YT  

Acta crystallographica. Section E, Structure reports online 20091219 Pt 1

The crystal structure of the title compound, C(21)H(21)F(2)NO, shows that the compound exists in a twin-chair conformation with an equatorial orientation of the ortho-fluoro-phenyl groups on either side of the secondary amino group. The title compound is a 1-methyl-ated analog of 2,4-bis-(2-fluoro-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one; the two compound both exhibit the same stereochemistry but the orientation of the ortho-fluoro-phenyl rings differs slightly. In the title compound, the rings  ...[more]