2,4-Bis(2-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one
نویسندگان
چکیده
The crystal structure of the title compound, C(25)H(31)NO(3), exists in a twin-chair conformation with an equatorial orientation of the ortho-eth-oxy-phenyl groups. According to Cremer and Pople [Cremer & Pople (1975 ▶), J. Am. Chem. Soc. 97, 1354-1358], both the piperidone and cyclo-hexa-none rings are significantly puckered with total puckering amplitutdes Q(T) of 0.5889 (18) and 0.554 (2) Å, respectively. The ortho-eth-oxy-phenyl groups are located on either side of the secondary amino group and make a dihedral angle of 12.41 (4)° with respect to each other. The methyl group on the cyclo-hexa-none part occupies an exocyclic equatorial disposition. The crystal packing is stabilized by weak van der Waals inter-actions.
منابع مشابه
2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
The asymmetric unit of the title compound, C24H29NO3, contains two independent mol-ecules, which each exibit a twin-chair conformation with an equatorial orientation of the ortho-eth-oxy-phenyl groups but different dihedral angles [41.3 (1) and 24.1 (1)°] between the benzene rings. In the crystal, pairs of weak C-H⋯O hydrogen bonds link the two different independent mol-ecules into dimers.
متن کامل2,4-Bis(4-ethoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one
In the title compound, C(25)H(30)NO(3), a crystallographic mirror plane bis-ects the mol-ecule. Although it is a positional isomer of 2,4-bis(4-eth-oxy-phen-yl)-7-methyl-3-aza-bicyclo-[3.3.1]non-an-9-one [C(25)H(31)NO(3), M(r) = 393.51; Park et al. (2012c ▶). Acta Cryst. E68, o779-780], its mol-ecular weight is 392.50 due to the 50:50 ratio of the methyl group at bridgehead C atoms. However, th...
متن کامل2,4-Bis(2-bromophenyl)-7-tert-pentyl-3-azabicyclo[3.3.1]nonan-9-one
The title compound, C(25)H(29)Br(2)NO, is a tert-pentyl analog of 2,4-bis-(2-bromo-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one [Par-thiban et al. (2008 ▶). Acta Cryst. E64, o2385]. Similar to its analog, the title compound exists in a twin-chair conformation with an equatorial orientation of the 2-bromo-phenyl groups. The benzene rings are inclined to each other at a dihedral angle of 29.6 (3)°. ...
متن کامل2,4-Bis(2-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-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 exh...
متن کامل2,4-Bis(2-fluorophenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one
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 ...
متن کامل2,4-Bis(4-chlorophenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one
The title compound, C(21)H(21)Cl(2)NO, exists in a twin-chair conformation with an equatorial orientation of the 4-chloro-phenyl groups on both sides of the secondary amino group; the dihedral angle between the 4-chloro-phenyl rings is 36.58 (2)°. The crystal packing is stabilized by an inter-molecular N-H⋯O hydrogen bond and a weak Cl⋯Cl [3.4331 (9) Å] inter-action.
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