ISSN:
1573-1111
Keywords:
1-Benzyl-6-phenylpiperidin-2-one-5-carboxylic acid
;
acetonitrile
;
inclusion compound
;
hydrogen bonding
;
disorder
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract C19H19NO3·x CH3CN (x=0.3),M r=643.35, hexagonal, space groupP61 (No. 169),a=23.027(5),c=5.775(1) Å,V=2652(1) Å3,Z=6. The structure was solved by direct methods and refined toR=0.077 for 1562 observed MoK α reflections. The title heterocyclic carboxylic acid was established as thetrans isomer, with the phenyl and carboxyl substituents occupying pseudo-equatorial and equatorial positions, respectively, of the piperidin-2-one ring in a half-chair conformation. Acid host molecules related by the 61 screw operation are linked by intermolecular O−H...O (cyclic amide) hydrogen bonds to generate an open channel bounded by coaxial intertwined helices each having a pitch of 5c. Within each channel of free diameterca. 6.0 Å the acetonitrile molecules partially occupy highly disordered sites which do not lie on thec axis.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00660748
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