Synthesis and crystal structure ofN,N′-DicyclohexylpiperazineN,N′-dioxide octahydrate |
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Authors: | Chun-Kiu Kwok Thomas C. W. Mak |
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Affiliation: | (1) Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong |
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Abstract: | N,N-DicyclohexylpiperazineN,N-dioxide octahydrate, C16H46N2O10,Mr=426.55, monoclinic, space groupC2/m (No. 12),a=12.961(4),b=11.533(4),c=7.907(1) Å, =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 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.Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication No. SUP 82062 (8 pages). |
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Keywords: | N,N /content/x310465151263k86/xxlarge8242.gif" alt=" prime" align=" BASELINE" BORDER=" 0" >-dicyclohexylpiperazine N-oxide, hydrate crystal structure hydrogen bonding |
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