Title

Molecular and Crystal Structure of 5,7-Diphenyl-7-Methyl-4,7-Dihydro-1,2,4-Triazolo[1,5-a]pyrimidine

Document Type

Article

Language

eng

Publication Date

11-1993

Publisher

Springer

Source Publication

Russian Chemical Bulletin

Source ISSN

1066-5285

Abstract

The molecular and crystal structures of 5,7-diphenyl-7-methyi-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine have been studied by X-ray structural methods. The crystal is monoclinic,a=16.112(3),b=13.489(3),c=14.480(3)Å, β=101.62(2)°,Z=8, space groupC2/c,R=0.071. The presence of short intermolecular contacts indicates considerable steric strain in the molecule. The dihydropyrimidine ring exists in an unevenly planar boat conformation. Increasing the steric strain of the dihydrocycle leads to a twisted conformation.

Comments

Russian Chemical Bulletin, Vol. 42, No. 11 (November 1993): 1827-1829. DOI.

Sergey Lindeman was affiliated with Russian Academy of Sciences at the time of publication.

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