F. Ahmed, E. Gabe
May 1, 1964
Citations
0
Influential Citations
14
Citations
Journal
Acta Crystallographica
Abstract
Crystals of 6,6-diphenyl-3,3-diethyl-3-azabicyclo[3.1.0]hexane bromide monohydrate are monoclinic, space group P21/n with a = 12.044, b = 17.598, c--9.137 J~; fl = 95 ° 44'. The structure has been determined from Patterson and Fourier syntheses employing 3611 observed reflexions measured on a counter diffractometer. The final atomic parameters have been obtained by obs. and calc. differential syntheses, and the hydrogen atoms have been located from a 3-D difference map. In this structure, the five-membered ring has its four carbon atoms nearly, but not exactly, in one plane with the nitrogen atom at 0.534 A from the plane. The three-membered ring forms a nearly equilateral triangle of side 1.520/~ and is fused to the five-membered ring through the C(1)-C(5) bond at an angle of 65.0 ° from the mean plane of C(1), C(2), C(4), and C(5). One of the ethyl groups appears to be disordered, occupying one orientation more frequently than the other. Hydrogen bonding is indicated between the unattached bromine and the oxygen atoms of the water molecules.