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.
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Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication No. SUP 82062 (8 pages).
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Kwok, CK., Mak, T.C.W. Synthesis and crystal structure ofN,N′-DicyclohexylpiperazineN,N′-dioxide octahydrate. Journal of Inclusion Phenomena 6, 461–471 (1988). https://doi.org/10.1007/BF00660744
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DOI: https://doi.org/10.1007/BF00660744