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2,4,6,8-Tetra-kis(4-ethyl-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

ABSTRACT: The bicyclo-[3.3.1]nonane ring in the title compound, C(39)H(44)N(2)O, adopts a chair-boat conformation with the four benzene rings being directed away from the carbonyl group. The presence of C-H?O contacts leads to helical supra-molecular chains along the b axis.

SUBMITTER: Rajesh K

PROVIDER: S-EPMC2979421 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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2,4,6,8-Tetra-kis(4-ethyl-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

Rajesh K K Vijayakumar V V Safwan A P AP Tan Kong Wai KW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100512 Pt 6

The bicyclo-[3.3.1]nonane ring in the title compound, C(39)H(44)N(2)O, adopts a chair-boat conformation with the four benzene rings being directed away from the carbonyl group. The presence of C-H⋯O contacts leads to helical supra-molecular chains along the b axis. ...[more]

PMID: 21579409

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2,4,6,8-Tetra-kis(4-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

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2,4,6,8-Tetra-kis(2-fluoro-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one.

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Crystal structures and supra-molecular features of 9,9-dimethyl-3,7-di-aza-bicyclo-[3.3.1]nonane-2,4,6,8-tetra-one, 3,7-di-aza-spiro-[bi-cyclo-[3.3.1]nonane-9,1'-cyclo-penta-ne]-2,4,6,8-tetra-one and 9-methyl-9-phenyl-3,7-di-aza-bicyclo-[3.3.1]nonane-2,4,6,8-tetra-one di-methyl-formamide monosolvate.

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Project description:In the crystal structure, the title compound, C(22)H(25)NO(3), exists in a twin-chair conformation with equatorial orientations of the meta-methoxy-phenyl groups on both sides of the secondary amino group. The title compound is a positional isomer of 2,4-bis-(2-methoxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one and 2,4-bis-(4-methoxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one, which both also exhibit twin-chair conformations with equatorial dispositions of the anisyl rings on both sides of the secondary amino group. In the title compound, the meta-methoxy-phenyl rings are orientated at an angle of 25.02?(3)° with respect to each other, whereas in the ortho and para isomers, the anisyl rings are orientated at dihedral angles of 33.86?(3) and 37.43?(4)°, respectively. The crystal packing is dominated by van der Waals inter-actions and by an inter-molecular N-H?O hydrogen bond, whereas in the ortho isomer, an inter-molecular N-H?? inter-action (H?Cg = 2.75?Å) is found.

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

Project description:The title compound, C(20)H(19)F(2)NO, exists in a twin-chair conformation with an equatorial orientation of the two 2-fluoro-phenyl groups on both sides of the secondary amine group. The benzene rings are orientated at an angle of 25.68?(4)° with respect to one another and the F atoms point upwards (towards the carbonyl group). The crystal is stabilized by an inter-molecular N-H?? inter-action.

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