Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1409473 | Journal of Molecular Structure | 2013 | 7 Pages |
Abstract
⺠The crystal and molecular structure of (E)-N,Nâ²-dicyclohexylacetamidine is described. ⺠The compound crystallises with six molecules in the asymmetric unit (Zâ²Â = 6). ⺠In the crystal, the molecules form polymeric helices via NHâ¯N hydrogen bonds. ⺠The characterisation in the solid-state is augmented by powder X-ray diffraction, infrared spectroscopy and thermal analysis. ⺠Density functional theory (DFT) structure optimization and frequency calculation were performed at the B3LYP/cc-pVTZ level.
Keywords
Related Topics
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Organic Chemistry
Authors
Michael Krasnopolski, Rüdiger W. Seidel, Richard Goddard, Jürgen Breidung, Manuela V. Winter, Anjana Devi, Roland A. Fischer,