Molecular and Crystal Structure of 5,7-Diphenyl-7-Methyl-4,7-Dihydro-1,2,4-Triazolo[1,5-a]pyrimidine
Russian Chemical Bulletin
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.
Shishkin, O. V.; Getmansky, N, V.; Desenko, S. M.; Orlov, V. D.; Lindeman, Sergey; and Struchkov, Yu T., "Molecular and Crystal Structure of 5,7-Diphenyl-7-Methyl-4,7-Dihydro-1,2,4-Triazolo[1,5-a]pyrimidine" (1993). Chemistry Faculty Research and Publications. 682.