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2,4-Bis(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
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-methoxyphenyl groups on both sides of the secondary amino group. The title compound is a positional isomer of 2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980113/ https://www.ncbi.nlm.nih.gov/pubmed/21580151 http://dx.doi.org/10.1107/S1600536809050697 |
Sumario: | 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-methoxyphenyl groups on both sides of the secondary amino group. The title compound is a positional isomer of 2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one and 2,4-bis(4-methoxyphenyl)-3-azabicyclo[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-methoxyphenyl 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 interactions and by an intermolecular N—H⋯O hydrogen bond, whereas in the ortho isomer, an intermolecular N—H⋯π interaction (H⋯Cg = 2.75 Å) is found. |
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