Study of cis-1-Benzylpyrrolidine-2,5-dicarbonitrile
Author Information
Author(s): Ponugoti Purushothama Rao, Penthala Narsimha Reddy, Dwoskin Linda P., Parkin Sean, Crooks Peter A.
Primary Institution: University of Kentucky
Hypothesis
The primary goal of the analysis of the title compound is to confirm the stereochemistry of the molecule and to obtain detailed information on the structural conformation of the molecule.
Conclusion
The crystal X-ray studies revealed that the central pyrrolidine ring is not planar, and that the geometry of cyano groups at the C2 and C5 positions are equatorial.
Supporting Evidence
- The angles between the mean plane of the pyrrolidine ring and the two cyano groups are 71.7° and 75.0°.
- The phenyl ring is disordered over two sets of sites.
Takeaway
The researchers looked at a specific chemical compound to understand its shape and structure better, finding that it has a non-flat part and certain angles between its components.
Methodology
The title compound was prepared by stirring a mixture of citric acid, dimethoxytetrahydrofuran, benzylamine, and potassium cyanide, followed by extraction and crystallization for X-ray analysis.
Digital Object Identifier (DOI)
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