The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane

Citation
Aj. Mora et An. Fitch, The low-temperature structures of bicyclo[3.3.1]nonan-9-one and 3-azabicyclo[3.2.2]nonane, Z KRISTALL, 214(8), 1999, pp. 480-485
Citations number
33
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
ISSN journal
00442968 → ACNP
Volume
214
Issue
8
Year of publication
1999
Pages
480 - 485
Database
ISI
SICI code
0044-2968(1999)214:8<480:TLSOBA>2.0.ZU;2-#
Abstract
The ordered, low-temperature structures of two globular bicyclic organic co mpounds have been solved by direct methods and refined at 100 K from powder synchrotron X-ray diffraction data Bicyclo[3.3.1]nonan-9-one, C9H14O, spac e group P2(1)/n, Z = 4, a = 10.4097(3) Angstrom, b = 11.4187(3) Angstrom, c = 6.4964(2) Angstrom, beta = 90.992(1)degrees V = 772.1 Angstrom(3). 3-Aza bidyclo[3.2,2]nonane, C8H15N, space group Aba2, Z = 8, a = 21.1318(5) Angst rom, b = 11.2357(3) Angstrom, c = 6.0863(1) Angstrom, V = 1445 Angstrom(3). Both structures display an efficient packing of molecules held together by intermolecular contacts between hydrogens and the oxygen or nitrogen atom, thus preventing the reorientation of the molecules.