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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-other | 2010

REPOSITORIES: biostudies-other

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

Jayaratna Naleen B NB   Norman Richard E RE  

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

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 eq  ...[more]