2-Phenyl-2-(pyridin-2-yl)hexahydro-pyrimidine.

ABSTRACT: The title compound, C(15)H(17)N(3), was prepared by reaction of benzoyl-pyridine and hexahydropyrimidine. The 1,3-diazinane ring adopts a chair conformation with one N-H group axial and the other equatorial. The axial N-H group participates in very weak hydrogen bonding to the lone pair of electrons of the N atom with the equatorial H atom producing a very weakly hydrogen-bonded dimer. The pyridine N atom accepts an inter-nal hydrogen bond from the equatorial H atom. The phenyl ring adopts an equatorial position while the pyridine ring is axial. The phenyl ring exhibits a slight twist (ca 25°) relative to the hexahydropyrimidine ring. The pyridine ring stacks with symmetry-related pyridine rings.

SUBMITTER: Jayaratna NB 

PROVIDER: S-EPMC3011375 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature