ISSN:
1573-1111
Keywords:
N,N′-dicyclohexylpiperazine
;
N-oxide, hydrate
;
crystal structure
;
hydrogen bonding
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract N,N′-DicyclohexylpiperazineN,N′-dioxide octahydrate, C16H46N2O10,M r=426.55, monoclinic, space groupC2/m (No. 12),a=12.961(4),b=11.533(4),c=7.907(1) Å, β=98.37(2)o,V=1169.3(6) Å3,Z=2. The structure was solved by the direct method and refined toR=0.045 for 1192 observed MoK α reflections. TheN,N′-dioxide molecule occupies a site of symmetry 2/m. The piperazine ring takes the chair form with the two N−O bonds oriented axially in atrans configuration. Hydrogen bonding between the water molecules, as well as between theN-oxide groups and water molecules, gives rise to a puckered layer composed of edge-sharing four-membered, five-membered, six-membered, and eight-membered rings. Adjacent layers are cross-linked by theN,N′-dicyclohexylpiperazine moieties lying between them, thereby generating a ‘sandwich’ structure consolidated by covalent and hydrogen bonding.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00660744
