7‐Isopropyl‐5‐methyl‐1,3,5‐triazepan‐2,6‐dione deuterated chloroform 0.94‐solvate

The title compound, C8H15N3O2.0.94CDCl3, displays a folded conformation and cocrystallizes with deuterated chloroform molecules. The asymmetric unit contains two triazepan molecules and two solvent molecules with incomplete occupancy. The expected absolute configuration was confirmed from the Flack...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2007-05, Vol.63 (5), p.o2306-o2308
Hauptverfasser: Aubert, Emmanuel, Lena, Gersande, Gellenoncourt, Martine, Durain, Eric, Guichard, Gilles, Didierjean, Claude
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Sprache:eng
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Zusammenfassung:The title compound, C8H15N3O2.0.94CDCl3, displays a folded conformation and cocrystallizes with deuterated chloroform molecules. The asymmetric unit contains two triazepan molecules and two solvent molecules with incomplete occupancy. The expected absolute configuration was confirmed from the Flack parameter using anomalous dispersion. Molecules are linked by hydrogen bonds to form infinite planes which are perpendicular to the c axis. The network of these planes is sandwiched by a layer of organic solvent molecules through hydrogen bonds and van der Waals interactions.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536807014912