research papers
A 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides including two polymorphs has been examined to correlate structural relationships between the solid state and ab initio geometry optimizations. Melting point data demonstrate the importance of the substituent position rather than the nature of the substituent.
Keywords: fluorine; isomerism; grid; chemometric; polymorphism; isomorphous; systematics; conformational analysis.