A. Collins, Chick C. Wilson, C. Gilmore
Feb 23, 2010
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Journal
CrystEngComm
Abstract
Intermolecular interactions between 2-amino-4-methylpyrimidine and 2-methylbenzoic acid in the crystalline solid state, used in a recent blind test of crystal structure prediction, are classified using cluster analysis and multivariate statistics. The analysis is repeated on crystal structures containing the 2-aminopyrimidine group and carboxylate group interactions. The potential of the method as an aid to crystal structure prediction is discussed.