Acta Crystallographica Section B

Structural Science

Volume 55, Part 5 (October 1999)

Acta Cryst. (1999). B55, 793-798 [doi:10.1107/S0108768199005273]

Molecular structures and conformations of three 3-azabicyclononanes

D. Kumaran, M. N. Ponnuswamy, G. Shanmugam, S. Ponnuswamy, R. Jeyaraman, K. Shivakumar and H. K. Fun

Abstract: The structure, conformation, molecular geometry and the mode of packing of 7-tert-butyl-N-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane (C₂₅H₃₃N; MTABN), N-acetyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane (C₂₂H₂₅NO; AABN) and N-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol (C₂₃H₂₉NO; MHABN) are presented. The compounds MTABN and MHABN crystallize in monoclinic space groups, whereas AABN is orthorhombic. In each of the three structures, the bicyclic ring system adopts a chair-chair conformation and the phenyl rings are in equatorial orientation with respect to the piperidine ring. In AABN, apart from the van der Waals forces, weak intermolecular C-HO type interactions are involved in the packing.

Online 1 October 1999


	Structure factor file (SHELXL table format) (94.8 kbytes) Supplementary material

	Structure factor file (SHELXL table format) (103.5 kbytes) Supplementary material

	Structure factor file (SHELXL table format) (110.2 kbytes) Supplementary material

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