MOLECULAR AND CRYSTAL-STRUCTURE OF METHYL-4,7-DIHYDRO-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE

Authors
SHISHKIN OV GETMANSKY NV DESENKO SM ORLOV VD LINDEMAN SV STRUCHKOV YT
Citation
Ov. Shishkin et al., MOLECULAR AND CRYSTAL-STRUCTURE OF METHYL-4,7-DIHYDRO-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE, Russian chemical bulletin, 42(11), 1993, pp. 1827-1829
Citations number
5
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
42
Issue
11
Year of publication
1993
Pages
1827 - 1829
Database
ISI
SICI code
1066-5285(1993)42:11<1827:MACOM>2.0.ZU;2-T
Abstract
The molecular and crystal structures of methyl-4,7-dihydro-1,2,4-triaz olo[1,5-a]pyrimidine have been studied by X-ray structural methods. Th e crystal is monoclinic, a = 16.112(3), b = 13.489(3), c = 14.480(3) a ngstrom, beta = 101.62(2)-degrees, Z = 8, space group C2/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 th e dihydrocycle leads to a twisted conformation.