X-ray structure of 2,6-dimethoxy-7-methylpurine

Citation
A. Kowalska et al., X-ray structure of 2,6-dimethoxy-7-methylpurine, J CHEM CRYS, 29(1), 1999, pp. 103-106
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
ISSN journal
10741542 → ACNP
Volume
29
Issue
1
Year of publication
1999
Pages
103 - 106
Database
ISI
SICI code
1074-1542(199901)29:1<103:XSO2>2.0.ZU;2-B
Abstract
The title compound (C8H10N4O2) is monoclinic, with a = 7.740(2), b = 17.044 (7), c = 6.992(3) Angstrom, beta = 100.60(1)degrees and space group P2(1)/c . Two O-methyl groups are coplanar with the pyrimidine ring. Whereas, the O (6)-methyl group is directed away from the imidazole ring toward the N(1) a tom, the O(2)-methyl is pointed away from the N(1) atom toward the N(3) ato m. Two intermolecular hydrogen bonds H(8) ... N(1) and H(711) ... O(2) of 2 .48(2) and 2.58(3) Angstrom make a linear arrangement of the molecules. The conformation of the O-methyl groups explains some results of thermal rearr angement of 2,6-dialkoxy-7-methylpurines and differences in alkylations of 2,4-dialkoxypyrimidines and 2,6-dialkoxy-7-methylpurines.