Abstract
The title compound isN,N′-DiphenylpiperazineN,N′-dioxide octahydrate, C16H34N2O10:M r=414.46, orthorhombic, space groupPnma (No. 62),a=12.327(2),b=9.804(1),c=17.443(4) Å,V c=2108.1(5) Å3,Z=4. The structure was solved by the direct method and refined toR=0.056 for 3032 observed MoKα reflections. In theN,N′-dioxide molecule, all atoms except those of the methylene groups lie on a crystallographic mirror plane. The piperazine ring takes the chair form, with two N-O bonds oriented axially in atrans configuration. The crystal structure is characterized by strong hydrogen bonding between the water molecules, as well as between theN-oxide groups and water molecules, giving rise to a three-dimensional network structure composed of edge-sharing four-membered, five-membered, six-membered, and fourteen-membered rings.
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Kwok, CK., Mak, T.C.W. Crystal and molecular structure ofN,N′-diphenylpiperazine N,N′-dioxide octahydrate. Journal of Crystallographic and Spectroscopic Research 18, 251–264 (1988). https://doi.org/10.1007/BF01194316
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DOI: https://doi.org/10.1007/BF01194316